4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

C14H15ClN4O2 — CID 62077592

IUPAC4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C14H15ClN4O2/c1-21-10-5-4-8(15)6-9(10)17-14(20)13-11(16)12(18-19-13)7-2-3-7/h4-7H,2-3,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyUQTYXBKPAGFLDN-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.78
Rot. Bonds4

About 4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 62077592) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID62077592
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C14H15ClN4O2/c1-21-10-5-4-8(15)6-9(10)17-14(20)13-11(16)12(18-19-13)7-2-3-7/h4-7H,2-3,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyUQTYXBKPAGFLDN-UHFFFAOYSA-N
XLogP2.78
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62077620
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CID 62688661
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N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
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4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
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5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 62077592) is 4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is UQTYXBKPAGFLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-21-10-5-4-8(15)6-9(10)17-14(20)13-11(16)12(18-19-13)7-2-3-7/h4-7H,2-3,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).