(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H26N4O — CID 66120759

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(C3CCCN3)CC2)n(C)n1
InChIInChI=1S/C16H26N4O/c1-3-13-11-15(19(2)18-13)16(21)20-9-6-12(7-10-20)14-5-4-8-17-14/h11-12,14,17H,3-10H2,1-2H3
InChIKeyVQBBWRMDFNLMAA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.59
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 66120759) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID66120759
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(C3CCCN3)CC2)n(C)n1
InChIInChI=1S/C16H26N4O/c1-3-13-11-15(19(2)18-13)16(21)20-9-6-12(7-10-20)14-5-4-8-17-14/h11-12,14,17H,3-10H2,1-2H3
InChIKeyVQBBWRMDFNLMAA-UHFFFAOYSA-N
XLogP1.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
[4-(bromomethyl)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80678289
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 102679909
(4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63259075
(3-bromopyrrolidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80677421
(4-chloro-1-methylpyrrol-2-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259032
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259247
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66211216
3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999698
N-cyclopropyl-3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106599278

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 66120759) is (3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is CCc1cc(C(=O)N2CCC(C3CCCN3)CC2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is VQBBWRMDFNLMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-13-11-15(19(2)18-13)16(21)20-9-6-12(7-10-20)14-5-4-8-17-14/h11-12,14,17H,3-10H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 66120759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).