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

C26H26N6O3 — CID 51950985

IUPAC(3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H26N6O3/c1-17(18-12-14-20(15-13-18)30-26(35)29-19-8-4-2-5-9-19)28-25(34)22-16-23(24(27)33)32(31-22)21-10-6-3-7-11-21/h2-15,17,23H,16H2,1H3,(H2,27,33)(H,28,34)(H2,29,30,35)/t17-,23-/m1/s1
InChIKeyWCGXRTWGGQLADU-UZUQRXQVSA-N
MW470.53 g/mol
LogP3.63
Rot. Bonds7

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

(3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 51950985) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is (3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID51950985
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name(3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H26N6O3/c1-17(18-12-14-20(15-13-18)30-26(35)29-19-8-4-2-5-9-19)28-25(34)22-16-23(24(27)33)32(31-22)21-10-6-3-7-11-21/h2-15,17,23H,16H2,1H3,(H2,27,33)(H,28,34)(H2,29,30,35)/t17-,23-/m1/s1
InChIKeyWCGXRTWGGQLADU-UZUQRXQVSA-N
XLogP3.63
TPSA128.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36629565
5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46577919
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159
(3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 38616647
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
(3S)-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999402
5-cyclopropyl-1-phenyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 112827858
(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 95583461
5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55571841
5-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 134022863
(3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51729138
(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94066190

Frequently Asked Questions

What is the IUPAC name of (3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide (CID 51950985) is (3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide is C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of (3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is WCGXRTWGGQLADU-UZUQRXQVSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-17(18-12-14-20(15-13-18)30-26(35)29-19-8-4-2-5-9-19)28-25(34)22-16-23(24(27)33)32(31-22)21-10-6-3-7-11-21/h2-15,17,23H,16H2,1H3,(H2,27,33)(H,28,34)(H2,29,30,35)/t17-,23-/m1/s1.
What are the key properties of (3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
(3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 470.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 51950985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).