1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine

C20H25N5 — CID 56739796

IUPAC1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESCc1ccc(C)c(-c2[nH]ncc2CN2CCCC(c3ccn[nH]3)C2)c1
InChIInChI=1S/C20H25N5/c1-14-5-6-15(2)18(10-14)20-17(11-22-24-20)13-25-9-3-4-16(12-25)19-7-8-21-23-19/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySYVXZPWZTPSPQW-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.80
Rot. Bonds4

About 1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine

1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine (PubChem CID 56739796) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine
PubChem CID56739796
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESCc1ccc(C)c(-c2[nH]ncc2CN2CCCC(c3ccn[nH]3)C2)c1
InChIInChI=1S/C20H25N5/c1-14-5-6-15(2)18(10-14)20-17(11-22-24-20)13-25-9-3-4-16(12-25)19-7-8-21-23-19/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySYVXZPWZTPSPQW-UHFFFAOYSA-N
XLogP3.80
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine
CID 74244871
(9aR)-2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95208965
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole
CID 125009893
6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72936476
1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 127247399
2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 45230528
N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485255
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 122139250
1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine
CID 99945758

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine (CID 56739796) is 1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine is Cc1ccc(C)c(-c2[nH]ncc2CN2CCCC(c3ccn[nH]3)C2)c1.
What is the InChIKey of 1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine?
The InChIKey is SYVXZPWZTPSPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-14-5-6-15(2)18(10-14)20-17(11-22-24-20)13-25-9-3-4-16(12-25)19-7-8-21-23-19/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine?
1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine has a molecular weight of 335.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 56739796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).