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

C19H22N4O — CID 59504837

IUPAC3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide
SMILESCCc1c(-c2ccc(C#N)cc2)nn(C(C)C)c1C(=O)NC1CC1
InChIInChI=1S/C19H22N4O/c1-4-16-17(14-7-5-13(11-20)6-8-14)22-23(12(2)3)18(16)19(24)21-15-9-10-15/h5-8,12,15H,4,9-10H2,1-3H3,(H,21,24)
InChIKeyWHQQUTRCBTUYPN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.46
Rot. Bonds5

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

3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide (PubChem CID 59504837) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide
PubChem CID59504837
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide
SMILESCCc1c(-c2ccc(C#N)cc2)nn(C(C)C)c1C(=O)NC1CC1
InChIInChI=1S/C19H22N4O/c1-4-16-17(14-7-5-13(11-20)6-8-14)22-23(12(2)3)18(16)19(24)21-15-9-10-15/h5-8,12,15H,4,9-10H2,1-3H3,(H,21,24)
InChIKeyWHQQUTRCBTUYPN-UHFFFAOYSA-N
XLogP3.46
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide (CID 59504837) is 3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide is CCc1c(-c2ccc(C#N)cc2)nn(C(C)C)c1C(=O)NC1CC1.
What is the InChIKey of 3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is WHQQUTRCBTUYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-16-17(14-7-5-13(11-20)6-8-14)22-23(12(2)3)18(16)19(24)21-15-9-10-15/h5-8,12,15H,4,9-10H2,1-3H3,(H,21,24).
What are the key properties of 3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide?
3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-cyclopropyl-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 59504837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).