1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

C15H24N4O2 — CID 61021158

IUPAC1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C15H24N4O2/c1-10-11(9-17-18-10)8-16-13(20)12-6-5-7-19(12)14(21)15(2,3)4/h9,12H,5-8H2,1-4H3,(H,16,20)(H,17,18)
InChIKeyHOGJFAPGNWVVKF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.37
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 61021158) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID61021158
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C15H24N4O2/c1-10-11(9-17-18-10)8-16-13(20)12-6-5-7-19(12)14(21)15(2,3)4/h9,12H,5-8H2,1-4H3,(H,16,20)(H,17,18)
InChIKeyHOGJFAPGNWVVKF-UHFFFAOYSA-N
XLogP1.37
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.37
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-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 61021158) is 1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is Cc1[nH]ncc1CNC(=O)C1CCCN1C(=O)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is HOGJFAPGNWVVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-11(9-17-18-10)8-16-13(20)12-6-5-7-19(12)14(21)15(2,3)4/h9,12H,5-8H2,1-4H3,(H,16,20)(H,17,18).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.37, 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-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61021158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).