1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide

C14H22N4O2 — CID 47184320

IUPAC1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCn1cc(NC(=O)C2CCCN2C(=O)C(C)(C)C)cn1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)13(20)18-7-5-6-11(18)12(19)16-10-8-15-17(4)9-10/h8-9,11H,5-7H2,1-4H3,(H,16,19)
InChIKeyGHNKOAVBPFEOQQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.40
Rot. Bonds2

About 1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 47184320) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID47184320
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCn1cc(NC(=O)C2CCCN2C(=O)C(C)(C)C)cn1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)13(20)18-7-5-6-11(18)12(19)16-10-8-15-17(4)9-10/h8-9,11H,5-7H2,1-4H3,(H,16,19)
InChIKeyGHNKOAVBPFEOQQ-UHFFFAOYSA-N
XLogP1.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 51079392
1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide
CID 100972177
1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199274
1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 55634906
N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 100972174
1-(2,2-dimethylpropanoyl)-N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 104620312
1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 104620104
1-(2,2-dimethylpropanoyl)-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 47050528
(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 97314578
1-(2,2-dimethylpropanoyl)-N-(5-ethyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 115609289
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
CID 175500710

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide (CID 47184320) is 1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide is Cn1cc(NC(=O)C2CCCN2C(=O)C(C)(C)C)cn1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is GHNKOAVBPFEOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)13(20)18-7-5-6-11(18)12(19)16-10-8-15-17(4)9-10/h8-9,11H,5-7H2,1-4H3,(H,16,19).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47184320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).