3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H18N4O2 — CID 54947240

IUPAC3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOCCN(C(=O)c1c(N)n[nH]c1C)C1CC1
InChIInChI=1S/C11H18N4O2/c1-7-9(10(12)14-13-7)11(16)15(5-6-17-2)8-3-4-8/h8H,3-6H2,1-2H3,(H3,12,13,14)
InChIKeyKJMYVVVIWALRGT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.55
Rot. Bonds5

About 3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide

3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 54947240) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID54947240
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOCCN(C(=O)c1c(N)n[nH]c1C)C1CC1
InChIInChI=1S/C11H18N4O2/c1-7-9(10(12)14-13-7)11(16)15(5-6-17-2)8-3-4-8/h8H,3-6H2,1-2H3,(H3,12,13,14)
InChIKeyKJMYVVVIWALRGT-UHFFFAOYSA-N
XLogP0.55
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 54947240) is 3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide is COCCN(C(=O)c1c(N)n[nH]c1C)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is KJMYVVVIWALRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-9(10(12)14-13-7)11(16)15(5-6-17-2)8-3-4-8/h8H,3-6H2,1-2H3,(H3,12,13,14).
What are the key properties of 3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54947240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).