1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide

C18H22ClN3O — CID 42820477

IUPAC1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)C)c(C2CC2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN3O/c1-4-15-16(18(23)20-11(2)3)17(12-8-9-12)21-22(15)14-7-5-6-13(19)10-14/h5-7,10-12H,4,8-9H2,1-3H3,(H,20,23)
InChIKeyKXNBOJLPCCIODF-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.10
Rot. Bonds5

About 1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide

1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42820477) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID42820477
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)C)c(C2CC2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN3O/c1-4-15-16(18(23)20-11(2)3)17(12-8-9-12)21-22(15)14-7-5-6-13(19)10-14/h5-7,10-12H,4,8-9H2,1-3H3,(H,20,23)
InChIKeyKXNBOJLPCCIODF-UHFFFAOYSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide (CID 42820477) is 1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)NC(C)C)c(C2CC2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is KXNBOJLPCCIODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-4-15-16(18(23)20-11(2)3)17(12-8-9-12)21-22(15)14-7-5-6-13(19)10-14/h5-7,10-12H,4,8-9H2,1-3H3,(H,20,23).
What are the key properties of 1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42820477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).