4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide

C11H10ClN5O2 — CID 70069811

IUPAC4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)Nc2ccc(Cl)cn2)c1C(N)=O
InChIInChI=1S/C11H10ClN5O2/c1-17-9(10(13)18)7(5-15-17)11(19)16-8-3-2-6(12)4-14-8/h2-5H,1H3,(H2,13,18)(H,14,16,19)
InChIKeyCHZAQWFPTRQVEH-UHFFFAOYSA-N
MW279.69 g/mol
LogP0.82
Rot. Bonds3

About 4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide

4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide (PubChem CID 70069811) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is 4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide
PubChem CID70069811
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC Name4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)Nc2ccc(Cl)cn2)c1C(N)=O
InChIInChI=1S/C11H10ClN5O2/c1-17-9(10(13)18)7(5-15-17)11(19)16-8-3-2-6(12)4-14-8/h2-5H,1H3,(H2,13,18)(H,14,16,19)
InChIKeyCHZAQWFPTRQVEH-UHFFFAOYSA-N
XLogP0.82
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 122640442
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 3136981
N-(5-chloro-2-pyridinyl)-2,5-diethylbenzamide
CID 70908062
N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
CID 144725411

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide (CID 70069811) is 4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide is Cn1ncc(C(=O)Nc2ccc(Cl)cn2)c1C(N)=O.
What is the InChIKey of 4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide?
The InChIKey is CHZAQWFPTRQVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c1-17-9(10(13)18)7(5-15-17)11(19)16-8-3-2-6(12)4-14-8/h2-5H,1H3,(H2,13,18)(H,14,16,19).
What are the key properties of 4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide?
4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide has a molecular weight of 279.69 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 70069811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).