(3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide

C22H24N4O2 — CID 51729138

IUPAC(3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)[C@H]1CC(C(=O)NCC2(c3ccccc3)CCC2)=NN1c1ccccc1
InChIInChI=1S/C22H24N4O2/c23-20(27)19-14-18(25-26(19)17-10-5-2-6-11-17)21(28)24-15-22(12-7-13-22)16-8-3-1-4-9-16/h1-6,8-11,19H,7,12-15H2,(H2,23,27)(H,24,28)/t19-/m1/s1
InChIKeyIIEMIZXAMQCAKF-LJQANCHMSA-N
MW376.46 g/mol
LogP2.34
Rot. Bonds6

About (3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide

(3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 51729138) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID51729138
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)[C@H]1CC(C(=O)NCC2(c3ccccc3)CCC2)=NN1c1ccccc1
InChIInChI=1S/C22H24N4O2/c23-20(27)19-14-18(25-26(19)17-10-5-2-6-11-17)21(28)24-15-22(12-7-13-22)16-8-3-1-4-9-16/h1-6,8-11,19H,7,12-15H2,(H2,23,27)(H,24,28)/t19-/m1/s1
InChIKeyIIEMIZXAMQCAKF-LJQANCHMSA-N
XLogP2.34
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[(1-hydroxycycloheptyl)methyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 102557567
(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94066190
(3S)-5-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94562873
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46483778
(3S)-5-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 37287052
(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 95583461
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
prop-2-enyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 94026024
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159
(3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36629565
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616

Frequently Asked Questions

What is the IUPAC name of (3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide (CID 51729138) is (3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)[C@H]1CC(C(=O)NCC2(c3ccccc3)CCC2)=NN1c1ccccc1.
What is the InChIKey of (3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is IIEMIZXAMQCAKF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-20(27)19-14-18(25-26(19)17-10-5-2-6-11-17)21(28)24-15-22(12-7-13-22)16-8-3-1-4-9-16/h1-6,8-11,19H,7,12-15H2,(H2,23,27)(H,24,28)/t19-/m1/s1.
What are the key properties of (3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
(3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 51729138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).