4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide

C11H16ClN3O — CID 136573400

IUPAC4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCCC1(CNC(=O)c2[nH]ncc2Cl)CCC1
InChIInChI=1S/C11H16ClN3O/c1-2-11(4-3-5-11)7-13-10(16)9-8(12)6-14-15-9/h6H,2-5,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyWPYUJIGQGNEKTH-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.37
Rot. Bonds4

About 4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide

4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 136573400) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID136573400
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCCC1(CNC(=O)c2[nH]ncc2Cl)CCC1
InChIInChI=1S/C11H16ClN3O/c1-2-11(4-3-5-11)7-13-10(16)9-8(12)6-14-15-9/h6H,2-5,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyWPYUJIGQGNEKTH-UHFFFAOYSA-N
XLogP2.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide (CID 136573400) is 4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide is CCC1(CNC(=O)c2[nH]ncc2Cl)CCC1.
What is the InChIKey of 4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WPYUJIGQGNEKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-11(4-3-5-11)7-13-10(16)9-8(12)6-14-15-9/h6H,2-5,7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide?
4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136573400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).