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

C8H14N4O2 — CID 107345192

IUPAC4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide
SMILESCOCC(C)n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C8H14N4O2/c1-5(4-14-2)12-3-6(9)7(11-12)8(10)13/h3,5H,4,9H2,1-2H3,(H2,10,13)
InChIKeyJNJQBIYUEXNUKU-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.23
Rot. Bonds4

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

4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide (PubChem CID 107345192) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide
PubChem CID107345192
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide
SMILESCOCC(C)n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C8H14N4O2/c1-5(4-14-2)12-3-6(9)7(11-12)8(10)13/h3,5H,4,9H2,1-2H3,(H2,10,13)
InChIKeyJNJQBIYUEXNUKU-UHFFFAOYSA-N
XLogP-0.23
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-butan-2-ylpyrazole-3-carboxamide
CID 107345234
4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide
CID 165471957
1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine
CID 166528100
4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 107345394
4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide
CID 165472129
4-amino-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyrazole-3-carboxamide
CID 107345162
ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate
CID 107891686
4-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide
CID 107345214
methyl 1-(1-methoxypropan-2-yl)triazole-4-carboxylate
CID 103108011
2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid
CID 107344703
4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 107345120
4-amino-1-ethylsulfinylpyrazole-3-carboxamide
CID 131223531

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide (CID 107345192) is 4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide is COCC(C)n1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide?
The InChIKey is JNJQBIYUEXNUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(4-14-2)12-3-6(9)7(11-12)8(10)13/h3,5H,4,9H2,1-2H3,(H2,10,13).
What are the key properties of 4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide?
4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 107345192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).