(5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone

C13H22N4O — CID 113288623

IUPAC(5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cnn(C)c2N)C1
InChIInChI=1S/C13H22N4O/c1-4-13(5-2)6-7-17(9-13)12(18)10-8-15-16(3)11(10)14/h8H,4-7,9,14H2,1-3H3
InChIKeyVHFFHGLOKPQZLH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.65
Rot. Bonds3

About (5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone

(5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone (PubChem CID 113288623) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
PubChem CID113288623
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cnn(C)c2N)C1
InChIInChI=1S/C13H22N4O/c1-4-13(5-2)6-7-17(9-13)12(18)10-8-15-16(3)11(10)14/h8H,4-7,9,14H2,1-3H3
InChIKeyVHFFHGLOKPQZLH-UHFFFAOYSA-N
XLogP1.65
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-6-methyl-3-pyridinyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81245179
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
(5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 104600720
5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
CID 103940231
(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 110485292
(3-amino-2-chlorophenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 112576059
(3,3-diethylpyrrolidin-1-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 105072328
(6-amino-1,3-benzodioxol-5-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 103543276
(3-amino-5-bromo-2-methylphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 107872942
(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830121
(5-amino-1-methylpyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113288574
5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide
CID 104625668

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone (CID 113288623) is (5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone is CCC1(CC)CCN(C(=O)c2cnn(C)c2N)C1.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone?
The InChIKey is VHFFHGLOKPQZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-13(5-2)6-7-17(9-13)12(18)10-8-15-16(3)11(10)14/h8H,4-7,9,14H2,1-3H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113288623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).