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

C21H25N5 — CID 74244871

IUPAC4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine
SMILESCc1ccc(C)c(-c2[nH]ncc2CN2CCCC(c3ccncn3)C2)c1
InChIInChI=1S/C21H25N5/c1-15-5-6-16(2)19(10-15)21-18(11-24-25-21)13-26-9-3-4-17(12-26)20-7-8-22-14-23-20/h5-8,10-11,14,17H,3-4,9,12-13H2,1-2H3,(H,24,25)
InChIKeyYSXHHLLMLXLHEC-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.86
Rot. Bonds4

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

4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine (PubChem CID 74244871) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine
PubChem CID74244871
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine
SMILESCc1ccc(C)c(-c2[nH]ncc2CN2CCCC(c3ccncn3)C2)c1
InChIInChI=1S/C21H25N5/c1-15-5-6-16(2)19(10-15)21-18(11-24-25-21)13-26-9-3-4-17(12-26)20-7-8-22-14-23-20/h5-8,10-11,14,17H,3-4,9,12-13H2,1-2H3,(H,24,25)
InChIKeyYSXHHLLMLXLHEC-UHFFFAOYSA-N
XLogP3.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 56739796
4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124976907
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
(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
4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
CID 124961155
2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 45230528
5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124980487
4-[(3R)-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]pyrimidine
CID 124984221
2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine
CID 95833193
4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 98323673
2-(2-methoxy-5-methylphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124956873
N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485255

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine?
The IUPAC name of 4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine (CID 74244871) is 4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine?
The canonical SMILES for 4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine is Cc1ccc(C)c(-c2[nH]ncc2CN2CCCC(c3ccncn3)C2)c1.
What is the InChIKey of 4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine?
The InChIKey is YSXHHLLMLXLHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15-5-6-16(2)19(10-15)21-18(11-24-25-21)13-26-9-3-4-17(12-26)20-7-8-22-14-23-20/h5-8,10-11,14,17H,3-4,9,12-13H2,1-2H3,(H,24,25).
What are the key properties of 4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine?
4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine has a molecular weight of 347.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]pyrimidine is sourced from PubChem (CID 74244871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).