N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C18H14ClF2N3O2 — CID 19510356

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)[nH]n2)cc1
InChIInChI=1S/C18H14ClF2N3O2/c1-10-2-4-11(5-3-10)14-9-15(24-23-14)17(25)22-12-6-7-16(13(19)8-12)26-18(20)21/h2-9,18H,1H3,(H,22,25)(H,23,24)
InChIKeyMNKXRHOBUQKNMZ-UHFFFAOYSA-N
MW377.78 g/mol
LogP4.89
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19510356) has the molecular formula C18H14ClF2N3O2 and a molecular weight of 377.78 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19510356
Molecular FormulaC18H14ClF2N3O2
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)[nH]n2)cc1
InChIInChI=1S/C18H14ClF2N3O2/c1-10-2-4-11(5-3-10)14-9-15(24-23-14)17(25)22-12-6-7-16(13(19)8-12)26-18(20)21/h2-9,18H,1H3,(H,22,25)(H,23,24)
InChIKeyMNKXRHOBUQKNMZ-UHFFFAOYSA-N
XLogP4.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514552
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514246
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859177
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19513637
3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide
CID 19510088
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 112807637
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)thiourea
CID 17298126
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794200

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 19510356) is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)[nH]n2)cc1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MNKXRHOBUQKNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O2/c1-10-2-4-11(5-3-10)14-9-15(24-23-14)17(25)22-12-6-7-16(13(19)8-12)26-18(20)21/h2-9,18H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 377.78 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).