5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide

C16H23N5O — CID 94028947

IUPAC5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)c2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C16H23N5O/c1-10(9-21-12(3)6-11(2)20-21)8-17-16(22)15-7-14(18-19-15)13-4-5-13/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,17,22)(H,18,19)/t10-/m0/s1
InChIKeyNINRGALCGICRCC-JTQLQIEISA-N
MW301.39 g/mol
LogP2.17
Rot. Bonds6

About 5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide (PubChem CID 94028947) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide
PubChem CID94028947
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)c2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C16H23N5O/c1-10(9-21-12(3)6-11(2)20-21)8-17-16(22)15-7-14(18-19-15)13-4-5-13/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,17,22)(H,18,19)/t10-/m0/s1
InChIKeyNINRGALCGICRCC-JTQLQIEISA-N
XLogP2.17
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide (CID 94028947) is 5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide is Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cc(C3CC3)[nH]n2)n1.
What is the InChIKey of 5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide?
The InChIKey is NINRGALCGICRCC-JTQLQIEISA-N. The full InChI is InChI=1S/C16H23N5O/c1-10(9-21-12(3)6-11(2)20-21)8-17-16(22)15-7-14(18-19-15)13-4-5-13/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,17,22)(H,18,19)/t10-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 94028947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).