5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide

C12H16N6O — CID 164635270

IUPAC5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cnn(C)c1C1CC1)c1ncn[nH]1
InChIInChI=1S/C12H16N6O/c1-7(11-13-6-14-17-11)16-12(19)9-5-15-18(2)10(9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,16,19)(H,13,14,17)/t7-/m0/s1
InChIKeyQIPJZMMYLKHJKY-ZETCQYMHSA-N
MW260.30 g/mol
LogP0.91
Rot. Bonds4

About 5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide

5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 164635270) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
PubChem CID164635270
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cnn(C)c1C1CC1)c1ncn[nH]1
InChIInChI=1S/C12H16N6O/c1-7(11-13-6-14-17-11)16-12(19)9-5-15-18(2)10(9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,16,19)(H,13,14,17)/t7-/m0/s1
InChIKeyQIPJZMMYLKHJKY-ZETCQYMHSA-N
XLogP0.91
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide (CID 164635270) is 5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide is C[C@H](NC(=O)c1cnn(C)c1C1CC1)c1ncn[nH]1.
What is the InChIKey of 5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is QIPJZMMYLKHJKY-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H16N6O/c1-7(11-13-6-14-17-11)16-12(19)9-5-15-18(2)10(9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,16,19)(H,13,14,17)/t7-/m0/s1.
What are the key properties of 5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 164635270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).