N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide

C18H20N6O — CID 136548790

IUPACN-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESCC(C1CC1)n1cc(NC(=O)Cc2ccc(-n3cnnc3)cc2)cn1
InChIInChI=1S/C18H20N6O/c1-13(15-4-5-15)24-10-16(9-21-24)22-18(25)8-14-2-6-17(7-3-14)23-11-19-20-12-23/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,22,25)
InChIKeyKITLOBFTKAJMGP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.62
Rot. Bonds6

About N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide

N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide (PubChem CID 136548790) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
PubChem CID136548790
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESCC(C1CC1)n1cc(NC(=O)Cc2ccc(-n3cnnc3)cc2)cn1
InChIInChI=1S/C18H20N6O/c1-13(15-4-5-15)24-10-16(9-21-24)22-18(25)8-14-2-6-17(7-3-14)23-11-19-20-12-23/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,22,25)
InChIKeyKITLOBFTKAJMGP-UHFFFAOYSA-N
XLogP2.62
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
CID 126780952
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
CID 126779213
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 136533338
N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 138000636
2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
CID 112771337
N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 138000644
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 138025020
(3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 100675610
4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide
CID 126807454
N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 154762448
N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47284219
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 167957814

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide (CID 136548790) is N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide is CC(C1CC1)n1cc(NC(=O)Cc2ccc(-n3cnnc3)cc2)cn1.
What is the InChIKey of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The InChIKey is KITLOBFTKAJMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13(15-4-5-15)24-10-16(9-21-24)22-18(25)8-14-2-6-17(7-3-14)23-11-19-20-12-23/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,22,25).
What are the key properties of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 136548790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).