N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C12H19N7O — CID 118783400

IUPACN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCc2nc(N)n[nH]2)n[nH]1
InChIInChI=1S/C12H19N7O/c1-7(2)5-8-6-9(17-16-8)11(20)14-4-3-10-15-12(13)19-18-10/h6-7H,3-5H2,1-2H3,(H,14,20)(H,16,17)(H3,13,15,18,19)
InChIKeyWXTVJVCNXNJXRE-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.28
Rot. Bonds6

About N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 118783400) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID118783400
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCc2nc(N)n[nH]2)n[nH]1
InChIInChI=1S/C12H19N7O/c1-7(2)5-8-6-9(17-16-8)11(20)14-4-3-10-15-12(13)19-18-10/h6-7H,3-5H2,1-2H3,(H,14,20)(H,16,17)(H3,13,15,18,19)
InChIKeyWXTVJVCNXNJXRE-UHFFFAOYSA-N
XLogP0.28
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide 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'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
N-[2-(4-methylphenyl)sulfanylethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741155
5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 91839647
N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 95615872
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid
CID 154909657
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55743110
N-[(4-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55972607
N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741644
tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate
CID 55991925
5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide
CID 87035340
N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738543
5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid
CID 51051885

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 118783400) is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCCc2nc(N)n[nH]2)n[nH]1.
What is the InChIKey of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WXTVJVCNXNJXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-7(2)5-8-6-9(17-16-8)11(20)14-4-3-10-15-12(13)19-18-10/h6-7H,3-5H2,1-2H3,(H,14,20)(H,16,17)(H3,13,15,18,19).
What are the key properties of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118783400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).