4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide

C10H12ClN5O — CID 4772506

IUPAC4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2c(Cl)cnn2C)cnn1C
InChIInChI=1S/C10H12ClN5O/c1-6-8(5-13-15(6)2)14-10(17)9-7(11)4-12-16(9)3/h4-5H,1-3H3,(H,14,17)
InChIKeySBLNAMMTSPMHLR-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.37
Rot. Bonds2

About 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide

4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 4772506) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
PubChem CID4772506
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2c(Cl)cnn2C)cnn1C
InChIInChI=1S/C10H12ClN5O/c1-6-8(5-13-15(6)2)14-10(17)9-7(11)4-12-16(9)3/h4-5H,1-3H3,(H,14,17)
InChIKeySBLNAMMTSPMHLR-UHFFFAOYSA-N
XLogP1.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide (CID 4772506) is 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide is Cc1c(NC(=O)c2c(Cl)cnn2C)cnn1C.
What is the InChIKey of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is SBLNAMMTSPMHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-6-8(5-13-15(6)2)14-10(17)9-7(11)4-12-16(9)3/h4-5H,1-3H3,(H,14,17).
What are the key properties of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide?
4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 253.69 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4772506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).