3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide

C18H20ClN5O — CID 19570464

IUPAC3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1cccc(Cn2ccc(NC(=O)C(C)Cn3cc(Cl)cn3)n2)c1
InChIInChI=1S/C18H20ClN5O/c1-13-4-3-5-15(8-13)11-23-7-6-17(22-23)21-18(25)14(2)10-24-12-16(19)9-20-24/h3-9,12,14H,10-11H2,1-2H3,(H,21,22,25)
InChIKeyRFJGSCWPMVVJDY-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.36
Rot. Bonds6

About 3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide

3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 19570464) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID19570464
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1cccc(Cn2ccc(NC(=O)C(C)Cn3cc(Cl)cn3)n2)c1
InChIInChI=1S/C18H20ClN5O/c1-13-4-3-5-15(8-13)11-23-7-6-17(22-23)21-18(25)14(2)10-24-12-16(19)9-20-24/h3-9,12,14H,10-11H2,1-2H3,(H,21,22,25)
InChIKeyRFJGSCWPMVVJDY-UHFFFAOYSA-N
XLogP3.36
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19570481
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19539596
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979
(2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 39854346
3-(4-chloropyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19539633
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19570438
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide
CID 19549578
3-(4-bromopyrazol-1-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
CID 19566225
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide
CID 19564336
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19539613
2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19551410
2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400996

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide (CID 19570464) is 3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide is Cc1cccc(Cn2ccc(NC(=O)C(C)Cn3cc(Cl)cn3)n2)c1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is RFJGSCWPMVVJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-13-4-3-5-15(8-13)11-23-7-6-17(22-23)21-18(25)14(2)10-24-12-16(19)9-20-24/h3-9,12,14H,10-11H2,1-2H3,(H,21,22,25).
What are the key properties of 3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide?
3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 357.85 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 19570464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).