N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide

C21H21ClF3N5O — CID 19570776

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide
SMILESCC(Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)Nc1ccn(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C21H21ClF3N5O/c1-13(11-30-17(15-5-6-15)10-18(27-30)21(23,24)25)20(31)26-19-7-8-29(28-19)12-14-3-2-4-16(22)9-14/h2-4,7-10,13,15H,5-6,11-12H2,1H3,(H,26,28,31)
InChIKeyFVZIUANQJWRDCU-UHFFFAOYSA-N
MW451.88 g/mol
LogP4.95
Rot. Bonds7

About N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide (PubChem CID 19570776) has the molecular formula C21H21ClF3N5O and a molecular weight of 451.88 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide
PubChem CID19570776
Molecular FormulaC21H21ClF3N5O
Molecular Weight451.88 g/mol
Exact Mass451.14
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide
SMILESCC(Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)Nc1ccn(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C21H21ClF3N5O/c1-13(11-30-17(15-5-6-15)10-18(27-30)21(23,24)25)20(31)26-19-7-8-29(28-19)12-14-3-2-4-16(22)9-14/h2-4,7-10,13,15H,5-6,11-12H2,1H3,(H,26,28,31)
InChIKeyFVZIUANQJWRDCU-UHFFFAOYSA-N
XLogP4.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.88
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide
CID 19570803
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 19570781
N-(4-acetylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide
CID 19570636
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563872
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(1-phenylethyl)propanamide
CID 19570652
N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 843342
1-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea
CID 19334359
3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19570464
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpropanamide
CID 19570766
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19540090
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19286518
1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-one
CID 19540407

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide (CID 19570776) is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide is CC(Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)Nc1ccn(Cc2cccc(Cl)c2)n1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide?
The InChIKey is FVZIUANQJWRDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N5O/c1-13(11-30-17(15-5-6-15)10-18(27-30)21(23,24)25)20(31)26-19-7-8-29(28-19)12-14-3-2-4-16(22)9-14/h2-4,7-10,13,15H,5-6,11-12H2,1H3,(H,26,28,31).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 451.88 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 19570776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).