3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide

C10H18N4O — CID 64524870

IUPAC3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)C(C)NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C10H18N4O/c1-4-6(2)7(3)12-10(15)8-5-9(11)14-13-8/h5-7H,4H2,1-3H3,(H,12,15)(H3,11,13,14)
InChIKeyLOEZLTTUMIUDDF-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide

3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 64524870) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID64524870
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)C(C)NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C10H18N4O/c1-4-6(2)7(3)12-10(15)8-5-9(11)14-13-8/h5-7H,4H2,1-3H3,(H,12,15)(H3,11,13,14)
InChIKeyLOEZLTTUMIUDDF-UHFFFAOYSA-N
XLogP1.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
3-amino-N-(2-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 64524872
3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
CID 64525274
methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate
CID 64525404
3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 64524098
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 64524871
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 106281052
3,5-diamino-N-(3-methylpentan-2-yl)benzamide
CID 54950045
3-amino-N-(1-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523510
2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 62160554
4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 62080976
1-(3-amino-1H-pyrazol-5-yl)propan-1-one
CID 143337628

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide (CID 64524870) is 3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide is CCC(C)C(C)NC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is LOEZLTTUMIUDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-6(2)7(3)12-10(15)8-5-9(11)14-13-8/h5-7H,4H2,1-3H3,(H,12,15)(H3,11,13,14).
What are the key properties of 3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide?
3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).