N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide

C19H24N4O — CID 136521769

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCCC2/C=C/c2ccccc2)cn1
InChIInChI=1S/C19H24N4O/c1-22-15-17(14-21-22)11-12-20-19(24)23-13-5-8-18(23)10-9-16-6-3-2-4-7-16/h2-4,6-7,9-10,14-15,18H,5,8,11-13H2,1H3,(H,20,24)/b10-9+
InChIKeyWSXAPDBIWDNONS-MDZDMXLPSA-N
MW324.43 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide (PubChem CID 136521769) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide
PubChem CID136521769
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCCC2/C=C/c2ccccc2)cn1
InChIInChI=1S/C19H24N4O/c1-22-15-17(14-21-22)11-12-20-19(24)23-13-5-8-18(23)10-9-16-6-3-2-4-7-16/h2-4,6-7,9-10,14-15,18H,5,8,11-13H2,1H3,(H,20,24)/b10-9+
InChIKeyWSXAPDBIWDNONS-MDZDMXLPSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 119060843
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94120791
4-[[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]amino]butanoic acid
CID 122022245
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 55922732
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 94121216
4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 82905950
(3R)-1,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 97094696
4-hydroxy-1-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 80688778
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
(2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide
CID 129353248
4-N-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1,4-dicarboxamide
CID 51084807
5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124890677

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide (CID 136521769) is N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide is Cn1cc(CCNC(=O)N2CCCC2/C=C/c2ccccc2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide?
The InChIKey is WSXAPDBIWDNONS-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22-15-17(14-21-22)11-12-20-19(24)23-13-5-8-18(23)10-9-16-6-3-2-4-7-16/h2-4,6-7,9-10,14-15,18H,5,8,11-13H2,1H3,(H,20,24)/b10-9+.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136521769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).