1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide

C11H17N3O2 — CID 134394459

IUPAC1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
SMILESCN(CCO)C(=O)c1ccn(CC2CC2)n1
InChIInChI=1S/C11H17N3O2/c1-13(6-7-15)11(16)10-4-5-14(12-10)8-9-2-3-9/h4-5,9,15H,2-3,6-8H2,1H3
InChIKeyOEKUUXXPDXINAA-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.36
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide

1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide (PubChem CID 134394459) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
PubChem CID134394459
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
SMILESCN(CCO)C(=O)c1ccn(CC2CC2)n1
InChIInChI=1S/C11H17N3O2/c1-13(6-7-15)11(16)10-4-5-14(12-10)8-9-2-3-9/h4-5,9,15H,2-3,6-8H2,1H3
InChIKeyOEKUUXXPDXINAA-UHFFFAOYSA-N
XLogP0.36
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide (CID 134394459) is 1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide is CN(CCO)C(=O)c1ccn(CC2CC2)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is OEKUUXXPDXINAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13(6-7-15)11(16)10-4-5-14(12-10)8-9-2-3-9/h4-5,9,15H,2-3,6-8H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide?
1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 134394459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).