N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C22H20ClN5O — CID 19477594

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C22H20ClN5O/c1-15-21(16(2)28(26-15)19-9-4-3-5-10-19)22(29)25-18-12-24-27(14-18)13-17-8-6-7-11-20(17)23/h3-12,14H,13H2,1-2H3,(H,25,29)
InChIKeyYTFFWUVWVNMNJJ-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.64
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 19477594) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID19477594
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C22H20ClN5O/c1-15-21(16(2)28(26-15)19-9-4-3-5-10-19)22(29)25-18-12-24-27(14-18)13-17-8-6-7-11-20(17)23/h3-12,14H,13H2,1-2H3,(H,25,29)
InChIKeyYTFFWUVWVNMNJJ-UHFFFAOYSA-N
XLogP4.64
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474860
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476126
3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 53370702
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55662931
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19287518
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477710
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510337
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 47927121
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916
methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402203
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19471999

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 19477594) is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is YTFFWUVWVNMNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c1-15-21(16(2)28(26-15)19-9-4-3-5-10-19)22(29)25-18-12-24-27(14-18)13-17-8-6-7-11-20(17)23/h3-12,14H,13H2,1-2H3,(H,25,29).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 19477594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).