4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide

C10H18N4O — CID 165471957

IUPAC4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide
SMILESCCC(C)C(C)n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C10H18N4O/c1-4-6(2)7(3)14-5-8(11)9(13-14)10(12)15/h5-7H,4,11H2,1-3H3,(H2,12,15)
InChIKeyKMTNBPZSOAJXNJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.17
Rot. Bonds4

About 4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide

4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide (PubChem CID 165471957) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide
PubChem CID165471957
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide
SMILESCCC(C)C(C)n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C10H18N4O/c1-4-6(2)7(3)14-5-8(11)9(13-14)10(12)15/h5-7H,4,11H2,1-3H3,(H2,12,15)
InChIKeyKMTNBPZSOAJXNJ-UHFFFAOYSA-N
XLogP1.17
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-butan-2-ylpyrazole-3-carboxamide
CID 107345234
4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide
CID 107345192
4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 107345394
4-amino-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyrazole-3-carboxamide
CID 107345162
4-amino-1-(1-amino-1-oxobutan-2-yl)pyrazole-3-carboxylic acid
CID 107344037
4-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide
CID 107345214
4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide
CID 165472129
4-amino-1-ethylsulfinylpyrazole-3-carboxamide
CID 131223531
ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate
CID 107891686
4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344274
4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 107345120
ethyl 4-amino-1-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxylate
CID 107345053

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide (CID 165471957) is 4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide is CCC(C)C(C)n1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide?
The InChIKey is KMTNBPZSOAJXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-6(2)7(3)14-5-8(11)9(13-14)10(12)15/h5-7H,4,11H2,1-3H3,(H2,12,15).
What are the key properties of 4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide?
4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 165471957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).