4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

C11H10ClN3O2 — CID 5147624

IUPAC4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1[nH]ncc1Cl
InChIInChI=1S/C11H10ClN3O2/c1-17-9-5-3-2-4-8(9)14-11(16)10-7(12)6-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyZFVQDKDHJPUDFN-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.32
Rot. Bonds3

About 4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 5147624) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID5147624
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1[nH]ncc1Cl
InChIInChI=1S/C11H10ClN3O2/c1-17-9-5-3-2-4-8(9)14-11(16)10-7(12)6-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16)
InChIKeyZFVQDKDHJPUDFN-UHFFFAOYSA-N
XLogP2.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 5147624) is 4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccccc1NC(=O)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZFVQDKDHJPUDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-17-9-5-3-2-4-8(9)14-11(16)10-7(12)6-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16).
What are the key properties of 4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 251.67 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5147624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).