(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

C13H22N4O — CID 66116549

IUPAC(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCCC2(C)C)c1N
InChIInChI=1S/C13H22N4O/c1-5-9-10(14)11(16(4)15-9)12(18)17-8-6-7-13(17,2)3/h5-8,14H2,1-4H3
InChIKeyIMAYEIPNHVQHGR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.58
Rot. Bonds2

About (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 66116549) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID66116549
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCCC2(C)C)c1N
InChIInChI=1S/C13H22N4O/c1-5-9-10(14)11(16(4)15-9)12(18)17-8-6-7-13(17,2)3/h5-8,14H2,1-4H3
InChIKeyIMAYEIPNHVQHGR-UHFFFAOYSA-N
XLogP1.58
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CID 3338044
3-tert-butyl-N,N-diethyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 918936
4-amino-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 13822925
4-amino-5-ethyl-1-(2-methoxyethyl)-1H-Pyrazole-3-carboxamide
CID 11264312
N,3-di-tert-butyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 917557
(10S)-5-ethyl-6-methyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3,6,8-trien-2-one
CID 10059827
(10S)-5,6-dimethyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3,6,8-trien-2-one
CID 44318410
(10S)-4-ethyl-6-methyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3(7),5,8-trien-2-one
CID 10082668
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N,N-dimethylacetamide
CID 39892266
(10S)-4,6-dimethyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3(7),5,8-trien-2-one
CID 44318375
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 49791055
(1-Methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 59712183

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 66116549) is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone is CCc1nn(C)c(C(=O)N2CCCC2(C)C)c1N.
What is the InChIKey of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is IMAYEIPNHVQHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-9-10(14)11(16(4)15-9)12(18)17-8-6-7-13(17,2)3/h5-8,14H2,1-4H3.
What are the key properties of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 66116549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).