N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

C14H20N6O — CID 56789474

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCC(C1CC1)n1nccc1NC(=O)CCCn1cncn1
InChIInChI=1S/C14H20N6O/c1-11(12-4-5-12)20-13(6-7-16-20)18-14(21)3-2-8-19-10-15-9-17-19/h6-7,9-12H,2-5,8H2,1H3,(H,18,21)
InChIKeyBMRBRGUUFOVJNR-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.86
Rot. Bonds7

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 56789474) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID56789474
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCC(C1CC1)n1nccc1NC(=O)CCCn1cncn1
InChIInChI=1S/C14H20N6O/c1-11(12-4-5-12)20-13(6-7-16-20)18-14(21)3-2-8-19-10-15-9-17-19/h6-7,9-12H,2-5,8H2,1H3,(H,18,21)
InChIKeyBMRBRGUUFOVJNR-UHFFFAOYSA-N
XLogP1.86
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide (CID 56789474) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide is CC(C1CC1)n1nccc1NC(=O)CCCn1cncn1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is BMRBRGUUFOVJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-11(12-4-5-12)20-13(6-7-16-20)18-14(21)3-2-8-19-10-15-9-17-19/h6-7,9-12H,2-5,8H2,1H3,(H,18,21).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 288.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 56789474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).