N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide

C9H16N4O — CID 63085438

IUPACN-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCC(CN)CN(C)C(=O)c1ccn[nH]1
InChIInChI=1S/C9H16N4O/c1-7(5-10)6-13(2)9(14)8-3-4-11-12-8/h3-4,7H,5-6,10H2,1-2H3,(H,11,12)
InChIKeyCXRLGRMFMWNKJZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.08
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide

N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 63085438) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID63085438
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCC(CN)CN(C)C(=O)c1ccn[nH]1
InChIInChI=1S/C9H16N4O/c1-7(5-10)6-13(2)9(14)8-3-4-11-12-8/h3-4,7H,5-6,10H2,1-2H3,(H,11,12)
InChIKeyCXRLGRMFMWNKJZ-UHFFFAOYSA-N
XLogP0.08
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-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

N-ethyl-N-methyl-1H-pyrazole-5-carboxamide
CID 70181889
N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63225607
N-(2-chloro-3-methoxypropyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63398167
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119658630
4-[methyl(1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 43172441
N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 63393978
N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide
CID 115272388
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55180371
1H-pyrazole-5-carboxamide;hydrate
CID 172743817
N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
CID 54991847
methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate
CID 60779531
N-(3-aminopropyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 63085072

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide (CID 63085438) is N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide is CC(CN)CN(C)C(=O)c1ccn[nH]1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is CXRLGRMFMWNKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(5-10)6-13(2)9(14)8-3-4-11-12-8/h3-4,7H,5-6,10H2,1-2H3,(H,11,12).
What are the key properties of N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide?
N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63085438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).