3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide

C15H16ClN3O2 — CID 51078999

IUPAC3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C15H16ClN3O2/c16-12-4-2-1-3-11(12)13-7-14(19-18-13)15(20)17-8-10-5-6-21-9-10/h1-4,7,10H,5-6,8-9H2,(H,17,20)(H,18,19)
InChIKeyCOEYTXLGKITGJC-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.50
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 51078999) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID51078999
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C15H16ClN3O2/c16-12-4-2-1-3-11(12)13-7-14(19-18-13)15(20)17-8-10-5-6-21-9-10/h1-4,7,10H,5-6,8-9H2,(H,17,20)(H,18,19)
InChIKeyCOEYTXLGKITGJC-UHFFFAOYSA-N
XLogP2.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide (CID 51078999) is 3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(NCC1CCOC1)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is COEYTXLGKITGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-4-2-1-3-11(12)13-7-14(19-18-13)15(20)17-8-10-5-6-21-9-10/h1-4,7,10H,5-6,8-9H2,(H,17,20)(H,18,19).
What are the key properties of 3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51078999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).