5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide

C15H21N5O — CID 164632420

IUPAC5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCc1c([C@H](C)NC(=O)c2cc(C3CC3)n(C)n2)cnn1C
InChIInChI=1S/C15H21N5O/c1-9(12-8-16-19(3)10(12)2)17-15(21)13-7-14(11-5-6-11)20(4)18-13/h7-9,11H,5-6H2,1-4H3,(H,17,21)/t9-/m0/s1
InChIKeyFIXHXHDBELIRGY-VIFPVBQESA-N
MW287.37 g/mol
LogP1.83
Rot. Bonds4

About 5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide

5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 164632420) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide
PubChem CID164632420
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCc1c([C@H](C)NC(=O)c2cc(C3CC3)n(C)n2)cnn1C
InChIInChI=1S/C15H21N5O/c1-9(12-8-16-19(3)10(12)2)17-15(21)13-7-14(11-5-6-11)20(4)18-13/h7-9,11H,5-6H2,1-4H3,(H,17,21)/t9-/m0/s1
InChIKeyFIXHXHDBELIRGY-VIFPVBQESA-N
XLogP1.83
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide (CID 164632420) is 5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide is Cc1c([C@H](C)NC(=O)c2cc(C3CC3)n(C)n2)cnn1C.
What is the InChIKey of 5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is FIXHXHDBELIRGY-VIFPVBQESA-N. The full InChI is InChI=1S/C15H21N5O/c1-9(12-8-16-19(3)10(12)2)17-15(21)13-7-14(11-5-6-11)20(4)18-13/h7-9,11H,5-6H2,1-4H3,(H,17,21)/t9-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide?
5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 164632420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).