3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate

C9H15N3O2 — CID 64526036

IUPAC3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate
SMILESCC(C)CCOC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H15N3O2/c1-6(2)3-4-14-9(13)7-5-8(10)12-11-7/h5-6H,3-4H2,1-2H3,(H3,10,11,12)
InChIKeyPASKEYXOPFFTGR-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.19
Rot. Bonds4

About 3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate

3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate (PubChem CID 64526036) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate
PubChem CID64526036
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate
SMILESCC(C)CCOC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H15N3O2/c1-6(2)3-4-14-9(13)7-5-8(10)12-11-7/h5-6H,3-4H2,1-2H3,(H3,10,11,12)
InChIKeyPASKEYXOPFFTGR-UHFFFAOYSA-N
XLogP1.19
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N,N-bis(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 64523835
3-methylbutyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 23274332
3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 64524870
1-(3-amino-1H-pyrazol-5-yl)propan-1-one
CID 143337628
3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
3-methylbutyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
CID 65380855
3-methylbutyl 1H-indazole-3-carboxylate
CID 46638341
bis(3-methylbutyl) benzene-1,3-dicarboxylate
CID 69420045
3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 64524098
methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate
CID 64525404
3-amino-N-(2-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 64524872
cyclobutyl 3-amino-1H-pyrazole-5-carboxylate
CID 64526059

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate?
The IUPAC name of 3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate (CID 64526036) is 3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate.
What is the SMILES notation for 3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate?
The canonical SMILES for 3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate is CC(C)CCOC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate?
The InChIKey is PASKEYXOPFFTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)3-4-14-9(13)7-5-8(10)12-11-7/h5-6H,3-4H2,1-2H3,(H3,10,11,12).
What are the key properties of 3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate?
3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate has a molecular weight of 197.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 64526036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).