[3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C19H32N4O — CID 91906280

IUPAC[3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCC(C)CCN1CCC(C2CCN(C(=O)c3ccnn3C)C2)CC1
InChIInChI=1S/C19H32N4O/c1-15(2)5-10-22-11-6-16(7-12-22)17-8-13-23(14-17)19(24)18-4-9-20-21(18)3/h4,9,15-17H,5-8,10-14H2,1-3H3
InChIKeyNESKZNAZDIOHNM-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.64
Rot. Bonds5

About [3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91906280) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is [3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91906280
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name[3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCC(C)CCN1CCC(C2CCN(C(=O)c3ccnn3C)C2)CC1
InChIInChI=1S/C19H32N4O/c1-15(2)5-10-22-11-6-16(7-12-22)17-8-13-23(14-17)19(24)18-4-9-20-21(18)3/h4,9,15-17H,5-8,10-14H2,1-3H3
InChIKeyNESKZNAZDIOHNM-UHFFFAOYSA-N
XLogP2.64
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-Adamantyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6465121
US11142526, Example 79
CID 137533029
US11142526, Example 81
CID 137533224
N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
3-methyl-4-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217936
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19575757
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 19575903
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
4-ethyl-5-({1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56875666
2-[2-(dimethylamino)ethyl]-9-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850435
2-Cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72907096
[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875994

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 91906280) is [3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is CC(C)CCN1CCC(C2CCN(C(=O)c3ccnn3C)C2)CC1.
What is the InChIKey of [3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is NESKZNAZDIOHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-15(2)5-10-22-11-6-16(7-12-22)17-8-13-23(14-17)19(24)18-4-9-20-21(18)3/h4,9,15-17H,5-8,10-14H2,1-3H3.
What are the key properties of [3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 332.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-methylbutyl)piperidin-4-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91906280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).