3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide

C14H24N4O — CID 71868427

IUPAC3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
SMILESCc1cnn(CCCNC(=O)N2CCC(C)(C)C2)c1
InChIInChI=1S/C14H24N4O/c1-12-9-16-18(10-12)7-4-6-15-13(19)17-8-5-14(2,3)11-17/h9-10H,4-8,11H2,1-3H3,(H,15,19)
InChIKeyZXTWGXIBEHGAKA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.02
Rot. Bonds4

About 3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide

3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide (PubChem CID 71868427) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
PubChem CID71868427
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
SMILESCc1cnn(CCCNC(=O)N2CCC(C)(C)C2)c1
InChIInChI=1S/C14H24N4O/c1-12-9-16-18(10-12)7-4-6-15-13(19)17-8-5-14(2,3)11-17/h9-10H,4-8,11H2,1-3H3,(H,15,19)
InChIKeyZXTWGXIBEHGAKA-UHFFFAOYSA-N
XLogP2.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide (CID 71868427) is 3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide is Cc1cnn(CCCNC(=O)N2CCC(C)(C)C2)c1.
What is the InChIKey of 3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is ZXTWGXIBEHGAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12-9-16-18(10-12)7-4-6-15-13(19)17-8-5-14(2,3)11-17/h9-10H,4-8,11H2,1-3H3,(H,15,19).
What are the key properties of 3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide?
3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71868427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).