4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide

C14H17ClN6O2 — CID 17024057

IUPAC4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2[nH]ncc2Cl)c1C(=O)N1CCCCC1
InChIInChI=1S/C14H17ClN6O2/c1-20-12(14(23)21-5-3-2-4-6-21)10(8-17-20)18-13(22)11-9(15)7-16-19-11/h7-8H,2-6H2,1H3,(H,16,19)(H,18,22)
InChIKeySIJDRTZLQAQKDK-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.67
Rot. Bonds3

About 4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide

4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 17024057) has the molecular formula C14H17ClN6O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID17024057
Molecular FormulaC14H17ClN6O2
Molecular Weight336.78 g/mol
Exact Mass336.11
IUPAC Name4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2[nH]ncc2Cl)c1C(=O)N1CCCCC1
InChIInChI=1S/C14H17ClN6O2/c1-20-12(14(23)21-5-3-2-4-6-21)10(8-17-20)18-13(22)11-9(15)7-16-19-11/h7-8H,2-6H2,1H3,(H,16,19)(H,18,22)
InChIKeySIJDRTZLQAQKDK-UHFFFAOYSA-N
XLogP1.67
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[2-(4-Chloro-5-methyl-1H-pyrazol-1-YL)propanoyl]amino}-1-ethyl-N-isobutyl-1H-pyrazole-3-carboxamide
CID 4776458
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 4776508
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide
CID 4776652
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 4776916
4-chloro-1-methyl-N-[2-(piperidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 6469224
1-(difluoromethyl)-N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 4776669
4-({3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 17023022
4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268107
N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19337083
4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19338681
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
CID 19338693
4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19396301

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide (CID 17024057) is 4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide is Cn1ncc(NC(=O)c2[nH]ncc2Cl)c1C(=O)N1CCCCC1.
What is the InChIKey of 4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is SIJDRTZLQAQKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O2/c1-20-12(14(23)21-5-3-2-4-6-21)10(8-17-20)18-13(22)11-9(15)7-16-19-11/h7-8H,2-6H2,1H3,(H,16,19)(H,18,22).
What are the key properties of 4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 17024057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).