N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide

C10H18N4O — CID 106164166

IUPACN-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)(CCN)NC(=O)c1ccn[nH]1
InChIInChI=1S/C10H18N4O/c1-3-10(2,5-6-11)13-9(15)8-4-7-12-14-8/h4,7H,3,5-6,11H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyXFCDCMVSIDFPSQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.66
Rot. Bonds5

About N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide

N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 106164166) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID106164166
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)(CCN)NC(=O)c1ccn[nH]1
InChIInChI=1S/C10H18N4O/c1-3-10(2,5-6-11)13-9(15)8-4-7-12-14-8/h4,7H,3,5-6,11H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyXFCDCMVSIDFPSQ-UHFFFAOYSA-N
XLogP0.66
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119606629
N-(1-amino-3-methylpentan-3-yl)furan-2-carboxamide
CID 106164752
N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 47444796
N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide
CID 106164489
N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
CID 106164386
N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 111444730
N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide
CID 106164208
N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide
CID 106164117
N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide
CID 106164388
N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide
CID 60621598
N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
CID 106164885
N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide
CID 114383559

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide (CID 106164166) is N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide is CCC(C)(CCN)NC(=O)c1ccn[nH]1.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is XFCDCMVSIDFPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-10(2,5-6-11)13-9(15)8-4-7-12-14-8/h4,7H,3,5-6,11H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide?
N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 106164166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).