1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide

C14H20N6O2 — CID 75517931

IUPAC1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
SMILESCCC(C)n1ncc(C(=O)Nc2nc(OC)n[nH]2)c1C1CC1
InChIInChI=1S/C14H20N6O2/c1-4-8(2)20-11(9-5-6-9)10(7-15-20)12(21)16-13-17-14(22-3)19-18-13/h7-9H,4-6H2,1-3H3,(H2,16,17,18,19,21)
InChIKeyHTOSAQXWXPHKCD-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.11
Rot. Bonds6

About 1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide

1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide (PubChem CID 75517931) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
PubChem CID75517931
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
SMILESCCC(C)n1ncc(C(=O)Nc2nc(OC)n[nH]2)c1C1CC1
InChIInChI=1S/C14H20N6O2/c1-4-8(2)20-11(9-5-6-9)10(7-15-20)12(21)16-13-17-14(22-3)19-18-13/h7-9H,4-6H2,1-3H3,(H2,16,17,18,19,21)
InChIKeyHTOSAQXWXPHKCD-UHFFFAOYSA-N
XLogP2.11
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide (CID 75517931) is 1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide is CCC(C)n1ncc(C(=O)Nc2nc(OC)n[nH]2)c1C1CC1.
What is the InChIKey of 1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is HTOSAQXWXPHKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-4-8(2)20-11(9-5-6-9)10(7-15-20)12(21)16-13-17-14(22-3)19-18-13/h7-9H,4-6H2,1-3H3,(H2,16,17,18,19,21).
What are the key properties of 1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide?
1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 75517931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).