(3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C17H18N4O3 — CID 36619318

IUPAC(3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCN(Cc1ccco1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1
InChIInChI=1S/C17H18N4O3/c1-20(11-13-8-5-9-24-13)17(23)14-10-15(16(18)22)21(19-14)12-6-3-2-4-7-12/h2-9,15H,10-11H2,1H3,(H2,18,22)/t15-/m0/s1
InChIKeyMBIMWTBMWNAGHC-HNNXBMFYSA-N
MW326.36 g/mol
LogP1.36
Rot. Bonds5

About (3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

(3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 36619318) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID36619318
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name(3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCN(Cc1ccco1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1
InChIInChI=1S/C17H18N4O3/c1-20(11-13-8-5-9-24-13)17(23)14-10-15(16(18)22)21(19-14)12-6-3-2-4-7-12/h2-9,15H,10-11H2,1H3,(H2,18,22)/t15-/m0/s1
InChIKeyMBIMWTBMWNAGHC-HNNXBMFYSA-N
XLogP1.36
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55888592
5-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 42950316
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94066190
5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55572280
2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 42886413
prop-2-enyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 94026024
[(Z)-but-2-enyl] (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 96538553
(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 32935230
(3S)-5-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94562873
2,5-diphenyl-3,4-dihydropyrazole-3-carboxamide
CID 175059714
(3R)-5-N-(4-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623786

Frequently Asked Questions

What is the IUPAC name of (3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 36619318) is (3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is CN(Cc1ccco1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is MBIMWTBMWNAGHC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-20(11-13-8-5-9-24-13)17(23)14-10-15(16(18)22)21(19-14)12-6-3-2-4-7-12/h2-9,15H,10-11H2,1H3,(H2,18,22)/t15-/m0/s1.
What are the key properties of (3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
(3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 36619318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).