N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide

C17H17Cl2N5O — CID 19569925

IUPACN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N5O/c1-12-6-8-20-24(12)9-7-16(25)21-17-15(19)11-23(22-17)10-13-4-2-3-5-14(13)18/h2-6,8,11H,7,9-10H2,1H3,(H,21,22,25)
InChIKeyPYRAVSKUSLDSHR-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.77
Rot. Bonds6

About N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 19569925) has the molecular formula C17H17Cl2N5O and a molecular weight of 378.26 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID19569925
Molecular FormulaC17H17Cl2N5O
Molecular Weight378.26 g/mol
Exact Mass377.08
IUPAC NameN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N5O/c1-12-6-8-20-24(12)9-7-16(25)21-17-15(19)11-23(22-17)10-13-4-2-3-5-14(13)18/h2-6,8,11H,7,9-10H2,1H3,(H,21,22,25)
InChIKeyPYRAVSKUSLDSHR-UHFFFAOYSA-N
XLogP3.77
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569908
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569942
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19344988
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565666
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522929
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 19521057
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541814
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19544172
2-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19517227
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559486
3-[5-[[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490143
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 39854132

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide (CID 19569925) is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1CCC(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is PYRAVSKUSLDSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O/c1-12-6-8-20-24(12)9-7-16(25)21-17-15(19)11-23(22-17)10-13-4-2-3-5-14(13)18/h2-6,8,11H,7,9-10H2,1H3,(H,21,22,25).
What are the key properties of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 378.26 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19569925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).