4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide

C14H16ClN3O — CID 2941510

IUPAC4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H16ClN3O/c1-3-18-13(12(15)9-16-18)14(19)17-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyROGMGUWHSRLEIF-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.05
Rot. Bonds4

About 4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide

4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide (PubChem CID 2941510) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide
PubChem CID2941510
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H16ClN3O/c1-3-18-13(12(15)9-16-18)14(19)17-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyROGMGUWHSRLEIF-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide (CID 2941510) is 4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide?
The InChIKey is ROGMGUWHSRLEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-18-13(12(15)9-16-18)14(19)17-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of 4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide?
4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(1-phenylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 2941510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).