(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine

C16H24ClN5 — CID 97201985

IUPAC(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCC(C)n1ccnc1[C@@H]1CCCN(CCn2cc(Cl)cn2)C1
InChIInChI=1S/C16H24ClN5/c1-13(2)22-7-5-18-16(22)14-4-3-6-20(11-14)8-9-21-12-15(17)10-19-21/h5,7,10,12-14H,3-4,6,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyDTRXURLQORAEMY-CQSZACIVSA-N
MW321.86 g/mol
LogP3.19
Rot. Bonds5

About (3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine

(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine (PubChem CID 97201985) has the molecular formula C16H24ClN5 and a molecular weight of 321.86 g/mol. Its IUPAC name is (3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
PubChem CID97201985
Molecular FormulaC16H24ClN5
Molecular Weight321.86 g/mol
Exact Mass321.17
IUPAC Name(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCC(C)n1ccnc1[C@@H]1CCCN(CCn2cc(Cl)cn2)C1
InChIInChI=1S/C16H24ClN5/c1-13(2)22-7-5-18-16(22)14-4-3-6-20(11-14)8-9-21-12-15(17)10-19-21/h5,7,10,12-14H,3-4,6,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyDTRXURLQORAEMY-CQSZACIVSA-N
XLogP3.19
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 124758048
3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 124750094
(3S)-1-pent-2-ynyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97195423
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 97198380
(3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97193416
(3S)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97193417
4-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]benzoic acid
CID 97206519
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 97188791
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 72873646
2-[3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131911944
N,N-dimethyl-6-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine
CID 72864312
N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 131951672

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The IUPAC name of (3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine (CID 97201985) is (3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine.
What is the SMILES notation for (3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The canonical SMILES for (3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine is CC(C)n1ccnc1[C@@H]1CCCN(CCn2cc(Cl)cn2)C1.
What is the InChIKey of (3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The InChIKey is DTRXURLQORAEMY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24ClN5/c1-13(2)22-7-5-18-16(22)14-4-3-6-20(11-14)8-9-21-12-15(17)10-19-21/h5,7,10,12-14H,3-4,6,8-9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine?
(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine has a molecular weight of 321.86 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine is sourced from PubChem (CID 97201985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).