5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide

C18H29N3O — CID 134028147

IUPAC5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide
SMILESCCC(CNC(=O)C1CC(CC(C)C)NN1)c1ccccc1
InChIInChI=1S/C18H29N3O/c1-4-14(15-8-6-5-7-9-15)12-19-18(22)17-11-16(20-21-17)10-13(2)3/h5-9,13-14,16-17,20-21H,4,10-12H2,1-3H3,(H,19,22)
InChIKeyBEVHCHJQLFKLJH-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.58
Rot. Bonds7

About 5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide

5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide (PubChem CID 134028147) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide
PubChem CID134028147
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide
SMILESCCC(CNC(=O)C1CC(CC(C)C)NN1)c1ccccc1
InChIInChI=1S/C18H29N3O/c1-4-14(15-8-6-5-7-9-15)12-19-18(22)17-11-16(20-21-17)10-13(2)3/h5-9,13-14,16-17,20-21H,4,10-12H2,1-3H3,(H,19,22)
InChIKeyBEVHCHJQLFKLJH-UHFFFAOYSA-N
XLogP2.58
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-phenylbutyl)pyrrolidine-2-carboxamide
CID 123967791
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
N-(2-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 119271710
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide
CID 134068370
cis-(1S,2R)-2-[[(2S)-2-phenylbutyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 96564436
1-(2-phenylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75500959
2-phenylbutylurea
CID 137320233
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
CID 30016105
5-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazolidine-3-carboxamide
CID 75257646
N-(2,3-diphenylpropyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119803955
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide (CID 134028147) is 5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide is CCC(CNC(=O)C1CC(CC(C)C)NN1)c1ccccc1.
What is the InChIKey of 5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide?
The InChIKey is BEVHCHJQLFKLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-14(15-8-6-5-7-9-15)12-19-18(22)17-11-16(20-21-17)10-13(2)3/h5-9,13-14,16-17,20-21H,4,10-12H2,1-3H3,(H,19,22).
What are the key properties of 5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide?
5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(2-phenylbutyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134028147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).