2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone

C14H24N4O — CID 91769996

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(N)n(CC(=O)N2CCC(CC(C)C)C2)n1
InChIInChI=1S/C14H24N4O/c1-10(2)6-12-4-5-17(8-12)14(19)9-18-13(15)7-11(3)16-18/h7,10,12H,4-6,8-9,15H2,1-3H3
InChIKeyMBTAQIACUGHRRB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.67
Rot. Bonds4

About 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone

2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone (PubChem CID 91769996) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone
PubChem CID91769996
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(N)n(CC(=O)N2CCC(CC(C)C)C2)n1
InChIInChI=1S/C14H24N4O/c1-10(2)6-12-4-5-17(8-12)14(19)9-18-13(15)7-11(3)16-18/h7,10,12H,4-6,8-9,15H2,1-3H3
InChIKeyMBTAQIACUGHRRB-UHFFFAOYSA-N
XLogP1.67
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-3-methylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 86284234
1-[1-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]piperidin-3-yl]pyrrolidin-2-one
CID 77091056
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]ethanone
CID 124754602
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 63594626
2-(5-amino-3-methylpyrazol-1-yl)-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 99931641
2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone
CID 91840708
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone
CID 70777964
1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide
CID 110246529
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone;dihydrochloride
CID 119592882
2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
CID 154570049
2-[2-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 166612878

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone (CID 91769996) is 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone is Cc1cc(N)n(CC(=O)N2CCC(CC(C)C)C2)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone?
The InChIKey is MBTAQIACUGHRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)6-12-4-5-17(8-12)14(19)9-18-13(15)7-11(3)16-18/h7,10,12H,4-6,8-9,15H2,1-3H3.
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone?
2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91769996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).