N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide

C12H18N6O — CID 164638495

IUPACN-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide
SMILESCc1nc([C@H](C)NC(=O)CCCn2cccn2)n[nH]1
InChIInChI=1S/C12H18N6O/c1-9(12-15-10(2)16-17-12)14-11(19)5-3-7-18-8-4-6-13-18/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,19)(H,15,16,17)/t9-/m0/s1
InChIKeyPTZREZICZMUZJG-VIFPVBQESA-N
MW262.32 g/mol
LogP0.97
Rot. Bonds6

About N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide

N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide (PubChem CID 164638495) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide
PubChem CID164638495
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide
SMILESCc1nc([C@H](C)NC(=O)CCCn2cccn2)n[nH]1
InChIInChI=1S/C12H18N6O/c1-9(12-15-10(2)16-17-12)14-11(19)5-3-7-18-8-4-6-13-18/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,19)(H,15,16,17)/t9-/m0/s1
InChIKeyPTZREZICZMUZJG-VIFPVBQESA-N
XLogP0.97
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide (CID 164638495) is N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide is Cc1nc([C@H](C)NC(=O)CCCn2cccn2)n[nH]1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is PTZREZICZMUZJG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N6O/c1-9(12-15-10(2)16-17-12)14-11(19)5-3-7-18-8-4-6-13-18/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,19)(H,15,16,17)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide?
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 262.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 164638495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).