N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

C14H26N4O — CID 115309756

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)(CN)CC(C)C)n(C)n1
InChIInChI=1S/C14H26N4O/c1-6-11-7-12(18(5)17-11)13(19)16-14(4,9-15)8-10(2)3/h7,10H,6,8-9,15H2,1-5H3,(H,16,19)
InChIKeyJHIJPBSZWWYSTP-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.48
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 115309756) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID115309756
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)(CN)CC(C)C)n(C)n1
InChIInChI=1S/C14H26N4O/c1-6-11-7-12(18(5)17-11)13(19)16-14(4,9-15)8-10(2)3/h7,10H,6,8-9,15H2,1-5H3,(H,16,19)
InChIKeyJHIJPBSZWWYSTP-UHFFFAOYSA-N
XLogP1.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-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

3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 66121139
N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 105060410
4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119598253
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107868167
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 77113214
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-(1-amino-2,4-dimethylpentan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119597712
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3-dimethyl-4-nitropyrazole-5-carboxamide;hydrochloride
CID 119598125
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114610593

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 115309756) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC(C)(CN)CC(C)C)n(C)n1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is JHIJPBSZWWYSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-11-7-12(18(5)17-11)13(19)16-14(4,9-15)8-10(2)3/h7,10H,6,8-9,15H2,1-5H3,(H,16,19).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 115309756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).