N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide

C11H18N4O2 — CID 114255131

IUPACN-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NCC(N)C2CC2)nn1C
InChIInChI=1S/C11H18N4O2/c1-15-10(17-2)5-9(14-15)11(16)13-6-8(12)7-3-4-7/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,16)
InChIKeyKJLMZJKQTOGHGY-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.10
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide

N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide (PubChem CID 114255131) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide
PubChem CID114255131
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NCC(N)C2CC2)nn1C
InChIInChI=1S/C11H18N4O2/c1-15-10(17-2)5-9(14-15)11(16)13-6-8(12)7-3-4-7/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,16)
InChIKeyKJLMZJKQTOGHGY-UHFFFAOYSA-N
XLogP-0.10
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide (CID 114255131) is N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide is COc1cc(C(=O)NCC(N)C2CC2)nn1C.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
The InChIKey is KJLMZJKQTOGHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15-10(17-2)5-9(14-15)11(16)13-6-8(12)7-3-4-7/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,16).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 114255131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).