2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide

C15H26N4O — CID 119060470

IUPAC2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide
SMILESCc1cnn(CCCNC(=O)C(C)(C)N2CCCC2)c1
InChIInChI=1S/C15H26N4O/c1-13-11-17-19(12-13)10-6-7-16-14(20)15(2,3)18-8-4-5-9-18/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyJWEKGSNCYBHDHQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.57
Rot. Bonds6

About 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide

2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 119060470) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide
PubChem CID119060470
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide
SMILESCc1cnn(CCCNC(=O)C(C)(C)N2CCCC2)c1
InChIInChI=1S/C15H26N4O/c1-13-11-17-19(12-13)10-6-7-16-14(20)15(2,3)18-8-4-5-9-18/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyJWEKGSNCYBHDHQ-UHFFFAOYSA-N
XLogP1.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
2,2,3,3,4,4,4-heptafluoro-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19328081
1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483106
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 71868427
2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide
CID 135102382
(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
CID 97193249
1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea
CID 19573005
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
N-[3-(4-methylpyrazol-1-yl)propyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71990284
2-methyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentan-1-ol
CID 64808818
(4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 95330465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide (CID 119060470) is 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide is Cc1cnn(CCCNC(=O)C(C)(C)N2CCCC2)c1.
What is the InChIKey of 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is JWEKGSNCYBHDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13-11-17-19(12-13)10-6-7-16-14(20)15(2,3)18-8-4-5-9-18/h11-12H,4-10H2,1-3H3,(H,16,20).
What are the key properties of 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide?
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 119060470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).