N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide

C20H17Cl2N5O — CID 67843236

IUPACN,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCn1cc(C2CC(c3ccc(Cl)cc3)=NN2C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H17Cl2N5O/c1-26-12-14(11-23-26)19-10-18(13-2-4-15(21)5-3-13)25-27(19)20(28)24-17-8-6-16(22)7-9-17/h2-9,11-12,19H,10H2,1H3,(H,24,28)
InChIKeyPNRZPZUKJZDACK-UHFFFAOYSA-N
MW414.30 g/mol
LogP5.11
Rot. Bonds3

About N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide

N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 67843236) has the molecular formula C20H17Cl2N5O and a molecular weight of 414.30 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID67843236
Molecular FormulaC20H17Cl2N5O
Molecular Weight414.30 g/mol
Exact Mass413.08
IUPAC NameN,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCn1cc(C2CC(c3ccc(Cl)cc3)=NN2C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H17Cl2N5O/c1-26-12-14(11-23-26)19-10-18(13-2-4-15(21)5-3-13)25-27(19)20(28)24-17-8-6-16(22)7-9-17/h2-9,11-12,19H,10H2,1H3,(H,24,28)
InChIKeyPNRZPZUKJZDACK-UHFFFAOYSA-N
XLogP5.11
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.30
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-3-(furan-2-yl)-N-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 134087358
3,5-bis(4-chlorophenyl)-N-(3-phenoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 134111213
N-[4-[2-acetyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 11443570
3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 56693519
1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
1-[5-(4-chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25147362
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104
(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 101242618
1-[(3R)-5-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 139086729
(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 41299694
N-[4-[(3S)-2-acetyl-3-(3-chloro-4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 100663990
5-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 7058560

Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide (CID 67843236) is N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide is Cn1cc(C2CC(c3ccc(Cl)cc3)=NN2C(=O)Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is PNRZPZUKJZDACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O/c1-26-12-14(11-23-26)19-10-18(13-2-4-15(21)5-3-13)25-27(19)20(28)24-17-8-6-16(22)7-9-17/h2-9,11-12,19H,10H2,1H3,(H,24,28).
What are the key properties of N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide?
N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 414.30 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 67843236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).