5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide

C14H17ClN4O — CID 18540656

IUPAC5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cccc(Cl)c1-n1nc(C(C)C)c(C(N)=O)c1N
InChIInChI=1S/C14H17ClN4O/c1-7(2)11-10(14(17)20)13(16)19(18-11)12-8(3)5-4-6-9(12)15/h4-7H,16H2,1-3H3,(H2,17,20)
InChIKeyJNPRCCFGCGVYKQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.64
Rot. Bonds3

About 5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide

5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide (PubChem CID 18540656) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide
PubChem CID18540656
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cccc(Cl)c1-n1nc(C(C)C)c(C(N)=O)c1N
InChIInChI=1S/C14H17ClN4O/c1-7(2)11-10(14(17)20)13(16)19(18-11)12-8(3)5-4-6-9(12)15/h4-7H,16H2,1-3H3,(H2,17,20)
InChIKeyJNPRCCFGCGVYKQ-UHFFFAOYSA-N
XLogP2.64
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide (CID 18540656) is 5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide is Cc1cccc(Cl)c1-n1nc(C(C)C)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is JNPRCCFGCGVYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-7(2)11-10(14(17)20)13(16)19(18-11)12-8(3)5-4-6-9(12)15/h4-7H,16H2,1-3H3,(H2,17,20).
What are the key properties of 5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide?
5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-chloro-6-methylphenyl)-3-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 18540656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).