N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide

C19H26N4O — CID 118524356

IUPACN-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(C)[C@@H](Cn1ccc(-c2ccccc2)n1)NC(=O)N1CCCC1
InChIInChI=1S/C19H26N4O/c1-15(2)18(20-19(24)22-11-6-7-12-22)14-23-13-10-17(21-23)16-8-4-3-5-9-16/h3-5,8-10,13,15,18H,6-7,11-12,14H2,1-2H3,(H,20,24)/t18-/m1/s1
InChIKeyKGSNKHDOJJZNRG-GOSISDBHSA-N
MW326.44 g/mol
LogP3.38
Rot. Bonds5

About N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide

N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 118524356) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide
PubChem CID118524356
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(C)[C@@H](Cn1ccc(-c2ccccc2)n1)NC(=O)N1CCCC1
InChIInChI=1S/C19H26N4O/c1-15(2)18(20-19(24)22-11-6-7-12-22)14-23-13-10-17(21-23)16-8-4-3-5-9-16/h3-5,8-10,13,15,18H,6-7,11-12,14H2,1-2H3,(H,20,24)/t18-/m1/s1
InChIKeyKGSNKHDOJJZNRG-GOSISDBHSA-N
XLogP3.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514529
N-[2-fluoro-3-(3-phenylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 123622050
[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium
CID 144959097
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[2-[3-(3-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529255
N-(1-hydroxy-4-methylpentan-3-yl)pyrrolidine-1-carboxamide
CID 103713703
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea
CID 121176898

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide (CID 118524356) is N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide is CC(C)[C@@H](Cn1ccc(-c2ccccc2)n1)NC(=O)N1CCCC1.
What is the InChIKey of N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is KGSNKHDOJJZNRG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(2)18(20-19(24)22-11-6-7-12-22)14-23-13-10-17(21-23)16-8-4-3-5-9-16/h3-5,8-10,13,15,18H,6-7,11-12,14H2,1-2H3,(H,20,24)/t18-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide?
N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 118524356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).