N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide

C19H21ClF3N7O — CID 19591022

IUPACN-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)Nc1nn(Cc2cnn(C)c2)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C19H21ClF3N7O/c1-3-14(30-15-6-4-5-12(15)16(26-30)19(21,22)23)18(31)25-17-13(20)10-29(27-17)9-11-7-24-28(2)8-11/h7-8,10,14H,3-6,9H2,1-2H3,(H,25,27,31)
InChIKeyRVZUEZCJCYLEPM-UHFFFAOYSA-N
MW455.87 g/mol
LogP3.61
Rot. Bonds6

About N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide

N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (PubChem CID 19591022) has the molecular formula C19H21ClF3N7O and a molecular weight of 455.87 g/mol. Its IUPAC name is N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
PubChem CID19591022
Molecular FormulaC19H21ClF3N7O
Molecular Weight455.87 g/mol
Exact Mass455.14
IUPAC NameN-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)Nc1nn(Cc2cnn(C)c2)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C19H21ClF3N7O/c1-3-14(30-15-6-4-5-12(15)16(26-30)19(21,22)23)18(31)25-17-13(20)10-29(27-17)9-11-7-24-28(2)8-11/h7-8,10,14H,3-6,9H2,1-2H3,(H,25,27,31)
InChIKeyRVZUEZCJCYLEPM-UHFFFAOYSA-N
XLogP3.61
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.87
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 29092578
N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 19591170
(2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
CID 42573998
(2R)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 29092574
N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 19591031
(2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 29092551
(2R)-N-[3-(3-nitropyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 29092584
N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549570
(2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 29092547
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523743
(2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide
CID 51853240
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551695

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The IUPAC name of N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (CID 19591022) is N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.
What is the SMILES notation for N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The canonical SMILES for N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is CCC(C(=O)Nc1nn(Cc2cnn(C)c2)cc1Cl)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The InChIKey is RVZUEZCJCYLEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N7O/c1-3-14(30-15-6-4-5-12(15)16(26-30)19(21,22)23)18(31)25-17-13(20)10-29(27-17)9-11-7-24-28(2)8-11/h7-8,10,14H,3-6,9H2,1-2H3,(H,25,27,31).
What are the key properties of N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide has a molecular weight of 455.87 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is sourced from PubChem (CID 19591022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).