N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H18ClN3O — CID 47245043

IUPACN-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H18ClN3O/c1-10(2)13-9-14(19-18-13)15(20)17-8-7-11-3-5-12(16)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJOFBZZSXDHFOPJ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.16
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 47245043) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID47245043
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H18ClN3O/c1-10(2)13-9-14(19-18-13)15(20)17-8-7-11-3-5-12(16)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJOFBZZSXDHFOPJ-UHFFFAOYSA-N
XLogP3.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244745
N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
CID 5046574
N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47213767
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
N-[2-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 112529158
N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244989
5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109181634
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691406
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973
N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47245202
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 47245043) is N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NCCc2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JOFBZZSXDHFOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10(2)13-9-14(19-18-13)15(20)17-8-7-11-3-5-12(16)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47245043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).