N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide

C20H19ClFN3O2 — CID 110309072

IUPACN-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCC(C)(O)c3ccc(Cl)cc3)[nH]n2)ccc1F
InChIInChI=1S/C20H19ClFN3O2/c1-12-9-13(3-8-16(12)22)17-10-18(25-24-17)19(26)23-11-20(2,27)14-4-6-15(21)7-5-14/h3-10,27H,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyCFCDPZXQBBRXHJ-UHFFFAOYSA-N
MW387.84 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 110309072) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID110309072
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCC(C)(O)c3ccc(Cl)cc3)[nH]n2)ccc1F
InChIInChI=1S/C20H19ClFN3O2/c1-12-9-13(3-8-16(12)22)17-10-18(25-24-17)19(26)23-11-20(2,27)14-4-6-15(21)7-5-14/h3-10,27H,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyCFCDPZXQBBRXHJ-UHFFFAOYSA-N
XLogP3.82
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110300163
3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide
CID 110416694
3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 110307672
3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920460
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110309064
3-(4-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 45030562
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 119521772
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119639746
2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291543

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide (CID 110309072) is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1cc(-c2cc(C(=O)NCC(C)(O)c3ccc(Cl)cc3)[nH]n2)ccc1F.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is CFCDPZXQBBRXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-12-9-13(3-8-16(12)22)17-10-18(25-24-17)19(26)23-11-20(2,27)14-4-6-15(21)7-5-14/h3-10,27H,11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 387.84 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110309072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).