1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide

C14H22N4O2 — CID 47285918

IUPAC1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)13(20)18-8-4-5-11(18)12(19)15-9-10-6-7-16-17-10/h6-7,11H,4-5,8-9H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyZEASIEVBFOLFHU-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.06
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 47285918) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID47285918
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)13(20)18-8-4-5-11(18)12(19)15-9-10-6-7-16-17-10/h6-7,11H,4-5,8-9H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyZEASIEVBFOLFHU-UHFFFAOYSA-N
XLogP1.06
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 47285918) is 1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCCC1C(=O)NCc1ccn[nH]1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is ZEASIEVBFOLFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)13(20)18-8-4-5-11(18)12(19)15-9-10-6-7-16-17-10/h6-7,11H,4-5,8-9H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47285918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).