1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine

C20H24ClN5 — CID 46981268

IUPAC1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine
SMILESCc1cc(C)n(C2CCN(Cc3cn[nH]c3-c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C20H24ClN5/c1-14-11-15(2)26(24-14)19-7-9-25(10-8-19)13-17-12-22-23-20(17)16-3-5-18(21)6-4-16/h3-6,11-12,19H,7-10,13H2,1-2H3,(H,22,23)
InChIKeyKNGBAZSKJJNOBA-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.38
Rot. Bonds4

About 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine

1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine (PubChem CID 46981268) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine
PubChem CID46981268
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine
SMILESCc1cc(C)n(C2CCN(Cc3cn[nH]c3-c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C20H24ClN5/c1-14-11-15(2)26(24-14)19-7-9-25(10-8-19)13-17-12-22-23-20(17)16-3-5-18(21)6-4-16/h3-6,11-12,19H,7-10,13H2,1-2H3,(H,22,23)
InChIKeyKNGBAZSKJJNOBA-UHFFFAOYSA-N
XLogP4.38
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 46981244
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865204
1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 3950108
3,5-dimethyl-1-[(3R)-1-[(2,3,4-trifluorophenyl)methyl]pyrrolidin-3-yl]pyrazole
CID 95725333
1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865743
ethyl (3R)-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41244131
2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98589178
1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 26394276
2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 110882554
7-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(oxolan-2-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 45193916
1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24864479
1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 156604336

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine?
The IUPAC name of 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine (CID 46981268) is 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine?
The canonical SMILES for 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine is Cc1cc(C)n(C2CCN(Cc3cn[nH]c3-c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine?
The InChIKey is KNGBAZSKJJNOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-14-11-15(2)26(24-14)19-7-9-25(10-8-19)13-17-12-22-23-20(17)16-3-5-18(21)6-4-16/h3-6,11-12,19H,7-10,13H2,1-2H3,(H,22,23).
What are the key properties of 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine?
1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine has a molecular weight of 369.90 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine is sourced from PubChem (CID 46981268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).