3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide

C14H15Cl2N3O — CID 19509990

IUPAC3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C14H15Cl2N3O/c1-8(2)7-17-14(20)13-6-12(18-19-13)10-4-3-9(15)5-11(10)16/h3-6,8H,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBYIWWNFPZQURQP-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.77
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509990) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID19509990
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C14H15Cl2N3O/c1-8(2)7-17-14(20)13-6-12(18-19-13)10-4-3-9(15)5-11(10)16/h3-6,8H,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBYIWWNFPZQURQP-UHFFFAOYSA-N
XLogP3.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide (CID 19509990) is 3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide is CC(C)CNC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BYIWWNFPZQURQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-8(2)7-17-14(20)13-6-12(18-19-13)10-4-3-9(15)5-11(10)16/h3-6,8H,7H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 312.20 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).