1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide

C19H16ClF2N3O3 — CID 86967160

IUPAC1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide
SMILESO=C(NCC(O)c1ccc(OC(F)F)cc1)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C19H16ClF2N3O3/c20-15-3-1-2-4-16(15)25-11-13(9-24-25)18(27)23-10-17(26)12-5-7-14(8-6-12)28-19(21)22/h1-9,11,17,19,26H,10H2,(H,23,27)
InChIKeyWMVJZSHPPOMIKF-UHFFFAOYSA-N
MW407.80 g/mol
LogP3.59
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide

1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide (PubChem CID 86967160) has the molecular formula C19H16ClF2N3O3 and a molecular weight of 407.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide
PubChem CID86967160
Molecular FormulaC19H16ClF2N3O3
Molecular Weight407.80 g/mol
Exact Mass407.08
IUPAC Name1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide
SMILESO=C(NCC(O)c1ccc(OC(F)F)cc1)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C19H16ClF2N3O3/c20-15-3-1-2-4-16(15)25-11-13(9-24-25)18(27)23-10-17(26)12-5-7-14(8-6-12)28-19(21)22/h1-9,11,17,19,26H,10H2,(H,23,27)
InChIKeyWMVJZSHPPOMIKF-UHFFFAOYSA-N
XLogP3.59
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide
CID 95771032
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide
CID 111424671
1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide
CID 110022361
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
CID 111424679
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 52513898
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 111424709
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967193
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458227
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide
CID 86967156
1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide
CID 49156531
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967198
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide (CID 86967160) is 1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide is O=C(NCC(O)c1ccc(OC(F)F)cc1)c1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide?
The InChIKey is WMVJZSHPPOMIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O3/c20-15-3-1-2-4-16(15)25-11-13(9-24-25)18(27)23-10-17(26)12-5-7-14(8-6-12)28-19(21)22/h1-9,11,17,19,26H,10H2,(H,23,27).
What are the key properties of 1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide has a molecular weight of 407.80 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86967160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).