4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide

C15H18ClN3O — CID 35522426

IUPAC4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H18ClN3O/c1-4-19-9-13(16)14(18-19)15(20)17-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,17,20)
InChIKeyWNOKALMJLGJEJI-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.93
Rot. Bonds4

About 4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide

4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide (PubChem CID 35522426) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
PubChem CID35522426
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H18ClN3O/c1-4-19-9-13(16)14(18-19)15(20)17-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,17,20)
InChIKeyWNOKALMJLGJEJI-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19263479
4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide
CID 35522479
4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
CID 35522358
4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19263417
1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 19496540
4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19263270
4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618822
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263530
4-chloro-1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
CID 19263258
N-(1-benzyl-4-chloropyrazol-3-yl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263402
2-[4-[(4-propan-2-ylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288941
4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19263448

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide (CID 35522426) is 4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is WNOKALMJLGJEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-19-9-13(16)14(18-19)15(20)17-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,17,20).
What are the key properties of 4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 35522426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).