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

C13H20N6O — CID 91839647

IUPAC5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1cn(CCNC(=O)c2cc(CC(C)C)[nH]n2)nn1
InChIInChI=1S/C13H20N6O/c1-9(2)6-11-7-12(17-16-11)13(20)14-4-5-19-8-10(3)15-18-19/h7-9H,4-6H2,1-3H3,(H,14,20)(H,16,17)
InChIKeyLTKOBEATVMKXKL-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.94
Rot. Bonds6

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

5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 91839647) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID91839647
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1cn(CCNC(=O)c2cc(CC(C)C)[nH]n2)nn1
InChIInChI=1S/C13H20N6O/c1-9(2)6-11-7-12(17-16-11)13(20)14-4-5-19-8-10(3)15-18-19/h7-9H,4-6H2,1-3H3,(H,14,20)(H,16,17)
InChIKeyLTKOBEATVMKXKL-UHFFFAOYSA-N
XLogP0.94
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylphenyl)sulfanylethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741155
tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate
CID 55991925
N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 95615872
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 118783400
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497339
N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738543
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55743110
5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide
CID 134695637
N-[(4-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55972607
5-(2-methylpropyl)-N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide
CID 75480233
N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741644

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 91839647) is 5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1cn(CCNC(=O)c2cc(CC(C)C)[nH]n2)nn1.
What is the InChIKey of 5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is LTKOBEATVMKXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9(2)6-11-7-12(17-16-11)13(20)14-4-5-19-8-10(3)15-18-19/h7-9H,4-6H2,1-3H3,(H,14,20)(H,16,17).
What are the key properties of 5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91839647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).