4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide

C9H16N4O2 — CID 165472129

IUPAC4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide
SMILESCC(C)COCn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C9H16N4O2/c1-6(2)4-15-5-13-3-7(10)8(12-13)9(11)14/h3,6H,4-5,10H2,1-2H3,(H2,11,14)
InChIKeyOXLYGSBIEWKYRM-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.19
Rot. Bonds5

About 4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide

4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide (PubChem CID 165472129) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide
PubChem CID165472129
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide
SMILESCC(C)COCn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C9H16N4O2/c1-6(2)4-15-5-13-3-7(10)8(12-13)9(11)14/h3,6H,4-5,10H2,1-2H3,(H2,11,14)
InChIKeyOXLYGSBIEWKYRM-UHFFFAOYSA-N
XLogP0.19
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide
CID 107345439
4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide
CID 107345192
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098
4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 107345120
4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide
CID 107345223
4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide
CID 165471957
4-amino-1-butan-2-ylpyrazole-3-carboxamide
CID 107345234
4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 107345403
4-amino-1-[(2-methyltetrazol-5-yl)methyl]pyrazole-3-carboxamide
CID 107345303
4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide
CID 107345280
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 107345092
4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide
CID 107345144

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide (CID 165472129) is 4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide is CC(C)COCn1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide?
The InChIKey is OXLYGSBIEWKYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(2)4-15-5-13-3-7(10)8(12-13)9(11)14/h3,6H,4-5,10H2,1-2H3,(H2,11,14).
What are the key properties of 4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide?
4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 165472129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).