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

C11H14ClN5O — CID 4773097

IUPAC4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C11H14ClN5O/c1-4-17-10(8(12)5-14-17)11(18)15-9-6-13-16(3)7(9)2/h5-6H,4H2,1-3H3,(H,15,18)
InChIKeyKIQDQNPKNJDHGZ-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.85
Rot. Bonds3

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

4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide (PubChem CID 4773097) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
PubChem CID4773097
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C11H14ClN5O/c1-4-17-10(8(12)5-14-17)11(18)15-9-6-13-16(3)7(9)2/h5-6H,4H2,1-3H3,(H,15,18)
InChIKeyKIQDQNPKNJDHGZ-UHFFFAOYSA-N
XLogP1.85
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.85
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-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide (CID 4773097) is 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1cnn(C)c1C.
What is the InChIKey of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is KIQDQNPKNJDHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-4-17-10(8(12)5-14-17)11(18)15-9-6-13-16(3)7(9)2/h5-6H,4H2,1-3H3,(H,15,18).
What are the key properties of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide?
4-chloro-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.85, 3 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-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 4773097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).