3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide

C26H20ClN5O — CID 19509375

IUPAC3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C26H20ClN5O/c27-21-13-11-18(12-14-21)23-15-24(30-29-23)26(33)28-16-20-17-32(22-9-5-2-6-10-22)31-25(20)19-7-3-1-4-8-19/h1-15,17H,16H2,(H,28,33)(H,29,30)
InChIKeyWTNRLEUFYYFWGQ-UHFFFAOYSA-N
MW453.93 g/mol
LogP5.51
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 19509375) has the molecular formula C26H20ClN5O and a molecular weight of 453.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID19509375
Molecular FormulaC26H20ClN5O
Molecular Weight453.93 g/mol
Exact Mass453.14
IUPAC Name3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C26H20ClN5O/c27-21-13-11-18(12-14-21)23-15-24(30-29-23)26(33)28-16-20-17-32(22-9-5-2-6-10-22)31-25(20)19-7-3-1-4-8-19/h1-15,17H,16H2,(H,28,33)(H,29,30)
InChIKeyWTNRLEUFYYFWGQ-UHFFFAOYSA-N
XLogP5.51
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.93
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19514180
3-(1,3-benzodioxol-5-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19513258
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
CID 67048003
CID 67048003
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479833
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
3-(4-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 45030562
2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
CID 167935958
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19288805
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 19509375) is 3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WTNRLEUFYYFWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O/c27-21-13-11-18(12-14-21)23-15-24(30-29-23)26(33)28-16-20-17-32(22-9-5-2-6-10-22)31-25(20)19-7-3-1-4-8-19/h1-15,17H,16H2,(H,28,33)(H,29,30).
What are the key properties of 3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 453.93 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).