3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

C15H15ClN6O — CID 75358524

IUPAC3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESCC(Cn1cc(Cl)cn1)C(=O)Nc1cc(-c2ccncc2)[nH]n1
InChIInChI=1S/C15H15ClN6O/c1-10(8-22-9-12(16)7-18-22)15(23)19-14-6-13(20-21-14)11-2-4-17-5-3-11/h2-7,9-10H,8H2,1H3,(H2,19,20,21,23)
InChIKeyVJMVIPSADUWRKF-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.60
Rot. Bonds5

About 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 75358524) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
PubChem CID75358524
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESCC(Cn1cc(Cl)cn1)C(=O)Nc1cc(-c2ccncc2)[nH]n1
InChIInChI=1S/C15H15ClN6O/c1-10(8-22-9-12(16)7-18-22)15(23)19-14-6-13(20-21-14)11-2-4-17-5-3-11/h2-7,9-10H,8H2,1H3,(H2,19,20,21,23)
InChIKeyVJMVIPSADUWRKF-UHFFFAOYSA-N
XLogP2.60
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpyrazol-3-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide
CID 46985016
1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide
CID 47088977
6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 118716969
5-piperidin-1-yl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pentanamide
CID 57523384
3-(6-chloropyridin-3-yl)-N-(4-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl)propanamide
CID 164109988
6-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 47404870
3-(4-chlorophenyl)-N-[4-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl]propanamide
CID 164890234
2-[4-(5-fluoropyridin-2-yl)-1H-pyrazol-1-yl]-N-(2-methyl-2H-1,2,3-triazol-4-yl)acetamide
CID 46994867
2-(6-methyl-3-pyridinyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 47404806
N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 47404999
N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 47405004
4-methoxy-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)butanamide
CID 51102427

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (CID 75358524) is 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is CC(Cn1cc(Cl)cn1)C(=O)Nc1cc(-c2ccncc2)[nH]n1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is VJMVIPSADUWRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c1-10(8-22-9-12(16)7-18-22)15(23)19-14-6-13(20-21-14)11-2-4-17-5-3-11/h2-7,9-10H,8H2,1H3,(H2,19,20,21,23).
What are the key properties of 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?
3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 330.78 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 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-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 75358524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).