3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine

C20H30N4 — CID 143481497

IUPAC3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine
SMILESCc1cc(C)n(C2CCN(C(C)CC(N)c3ccccc3)CC2)n1
InChIInChI=1S/C20H30N4/c1-15-13-17(3)24(22-15)19-9-11-23(12-10-19)16(2)14-20(21)18-7-5-4-6-8-18/h4-8,13,16,19-20H,9-12,14,21H2,1-3H3
InChIKeySLRZYSBJCFAOSF-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.62
Rot. Bonds5

About 3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine

3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine (PubChem CID 143481497) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine
PubChem CID143481497
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine
SMILESCc1cc(C)n(C2CCN(C(C)CC(N)c3ccccc3)CC2)n1
InChIInChI=1S/C20H30N4/c1-15-13-17(3)24(22-15)19-9-11-23(12-10-19)16(2)14-20(21)18-7-5-4-6-8-18/h4-8,13,16,19-20H,9-12,14,21H2,1-3H3
InChIKeySLRZYSBJCFAOSF-UHFFFAOYSA-N
XLogP3.62
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole
CID 163839077
N-amino-1-(4-amino-4-phenylbutan-2-yl)-N-propan-2-ylpiperidine-4-carboximidamide;ethane
CID 143481513
(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]butanenitrile
CID 95314659
(2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone
CID 95737408
4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
CID 46980898
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
(3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one
CID 97049169
3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 50978885
2-(1,3-benzothiazol-2-ylamino)-1-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 70731369
benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate
CID 122631004
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72877286
[3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79641284

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine?
The IUPAC name of 3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine (CID 143481497) is 3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine?
The canonical SMILES for 3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine is Cc1cc(C)n(C2CCN(C(C)CC(N)c3ccccc3)CC2)n1.
What is the InChIKey of 3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine?
The InChIKey is SLRZYSBJCFAOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-15-13-17(3)24(22-15)19-9-11-23(12-10-19)16(2)14-20(21)18-7-5-4-6-8-18/h4-8,13,16,19-20H,9-12,14,21H2,1-3H3.
What are the key properties of 3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine?
3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine has a molecular weight of 326.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-1-phenylbutan-1-amine is sourced from PubChem (CID 143481497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).