(3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine

C15H23N5 — CID 97004575

IUPAC(3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
SMILESCc1cc([C@@H]2CCCN(CCc3cnn(C)c3)C2)n[nH]1
InChIInChI=1S/C15H23N5/c1-12-8-15(18-17-12)14-4-3-6-20(11-14)7-5-13-9-16-19(2)10-13/h8-10,14H,3-7,11H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyZUZSBHMUKAZTSG-CQSZACIVSA-N
MW273.38 g/mol
LogP1.87
Rot. Bonds4

About (3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine

(3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine (PubChem CID 97004575) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is (3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
PubChem CID97004575
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name(3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
SMILESCc1cc([C@@H]2CCCN(CCc3cnn(C)c3)C2)n[nH]1
InChIInChI=1S/C15H23N5/c1-12-8-15(18-17-12)14-4-3-6-20(11-14)7-5-13-9-16-19(2)10-13/h8-10,14H,3-7,11H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyZUZSBHMUKAZTSG-CQSZACIVSA-N
XLogP1.87
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004471
2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol
CID 95824466
1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 71927062
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 95781157
(3S)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-[(S)-phenylsulfinyl]ethyl]piperidine
CID 98785277
(3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 96514152
3-[2-(1-methylpyrazol-4-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 103815562
5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
CID 116856668
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 71926965
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane
CID 103016702
1-methyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 71926955
4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 103015270

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine?
The IUPAC name of (3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine (CID 97004575) is (3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine.
What is the SMILES notation for (3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine?
The canonical SMILES for (3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine is Cc1cc([C@@H]2CCCN(CCc3cnn(C)c3)C2)n[nH]1.
What is the InChIKey of (3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine?
The InChIKey is ZUZSBHMUKAZTSG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N5/c1-12-8-15(18-17-12)14-4-3-6-20(11-14)7-5-13-9-16-19(2)10-13/h8-10,14H,3-7,11H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine?
(3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine has a molecular weight of 273.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 97004575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).