1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide

C20H23N5O — CID 124568585

IUPAC1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide
SMILESCC[C@H](C)n1ncc(C(=O)Nc2cccc(-n3ccnc3)c2)c1C1CC1
InChIInChI=1S/C20H23N5O/c1-3-14(2)25-19(15-7-8-15)18(12-22-25)20(26)23-16-5-4-6-17(11-16)24-10-9-21-13-24/h4-6,9-15H,3,7-8H2,1-2H3,(H,23,26)/t14-/m0/s1
InChIKeyXQVSXEDJMIXIQZ-AWEZNQCLSA-N
MW349.44 g/mol
LogP4.17
Rot. Bonds6

About 1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide

1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide (PubChem CID 124568585) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide
PubChem CID124568585
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide
SMILESCC[C@H](C)n1ncc(C(=O)Nc2cccc(-n3ccnc3)c2)c1C1CC1
InChIInChI=1S/C20H23N5O/c1-3-14(2)25-19(15-7-8-15)18(12-22-25)20(26)23-16-5-4-6-17(11-16)24-10-9-21-13-24/h4-6,9-15H,3,7-8H2,1-2H3,(H,23,26)/t14-/m0/s1
InChIKeyXQVSXEDJMIXIQZ-AWEZNQCLSA-N
XLogP4.17
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide (CID 124568585) is 1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide is CC[C@H](C)n1ncc(C(=O)Nc2cccc(-n3ccnc3)c2)c1C1CC1.
What is the InChIKey of 1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is XQVSXEDJMIXIQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-14(2)25-19(15-7-8-15)18(12-22-25)20(26)23-16-5-4-6-17(11-16)24-10-9-21-13-24/h4-6,9-15H,3,7-8H2,1-2H3,(H,23,26)/t14-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide?
1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 124568585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).