N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide

C14H22N6O — CID 126444716

IUPACN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC[C@H](NC(=O)c1ccn(C(C)C)n1)c1ncnn1CC
InChIInChI=1S/C14H22N6O/c1-5-11(13-15-9-16-19(13)6-2)17-14(21)12-7-8-20(18-12)10(3)4/h7-11H,5-6H2,1-4H3,(H,17,21)/t11-/m0/s1
InChIKeyIAPYYRZPZCWUJY-NSHDSACASA-N
MW290.37 g/mol
LogP1.96
Rot. Bonds6

About N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 126444716) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID126444716
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC[C@H](NC(=O)c1ccn(C(C)C)n1)c1ncnn1CC
InChIInChI=1S/C14H22N6O/c1-5-11(13-15-9-16-19(13)6-2)17-14(21)12-7-8-20(18-12)10(3)4/h7-11H,5-6H2,1-4H3,(H,17,21)/t11-/m0/s1
InChIKeyIAPYYRZPZCWUJY-NSHDSACASA-N
XLogP1.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 126444716) is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide is CC[C@H](NC(=O)c1ccn(C(C)C)n1)c1ncnn1CC.
What is the InChIKey of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is IAPYYRZPZCWUJY-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N6O/c1-5-11(13-15-9-16-19(13)6-2)17-14(21)12-7-8-20(18-12)10(3)4/h7-11H,5-6H2,1-4H3,(H,17,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 126444716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).