4-(3-benzyl-1-propylpyrazol-5-yl)piperidine

C18H25N3 — CID 18187520

IUPAC4-(3-benzyl-1-propylpyrazol-5-yl)piperidine
SMILESCCCn1nc(Cc2ccccc2)cc1C1CCNCC1
InChIInChI=1S/C18H25N3/c1-2-12-21-18(16-8-10-19-11-9-16)14-17(20-21)13-15-6-4-3-5-7-15/h3-7,14,16,19H,2,8-13H2,1H3
InChIKeyNAHLSIHXOZUPFG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.35
Rot. Bonds5

About 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine

4-(3-benzyl-1-propylpyrazol-5-yl)piperidine (PubChem CID 18187520) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(3-benzyl-1-propylpyrazol-5-yl)piperidine
PubChem CID18187520
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-(3-benzyl-1-propylpyrazol-5-yl)piperidine
SMILESCCCn1nc(Cc2ccccc2)cc1C1CCNCC1
InChIInChI=1S/C18H25N3/c1-2-12-21-18(16-8-10-19-11-9-16)14-17(20-21)13-15-6-4-3-5-7-15/h3-7,14,16,19H,2,8-13H2,1H3
InChIKeyNAHLSIHXOZUPFG-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine
CID 18187705
4-(3-benzyl-1-methylpyrazol-5-yl)piperidine
CID 18187656
4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine
CID 18187803
4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine
CID 18187707
4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine
CID 142020526
4-[3-[(4-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine;4-[3-[(3,4-dichlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine;3-[(1-ethyl-5-piperidin-4-ylpyrazol-3-yl)methyl]benzonitrile
CID 158687306
4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine
CID 18187663
4-(4-benzyl-1-methylpyrazol-5-yl)piperidine
CID 18686313
N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide
CID 23557448
2-[3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]cyclopentyl]-3-cyclopropylpropanoic acid
CID 142033806
4-(3-benzyl-1-hydroxypyrazol-4-yl)piperidine
CID 46204538
5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine
CID 118759817

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine?
The IUPAC name of 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine (CID 18187520) is 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine.
What is the SMILES notation for 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine?
The canonical SMILES for 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine is CCCn1nc(Cc2ccccc2)cc1C1CCNCC1.
What is the InChIKey of 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine?
The InChIKey is NAHLSIHXOZUPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-12-21-18(16-8-10-19-11-9-16)14-17(20-21)13-15-6-4-3-5-7-15/h3-7,14,16,19H,2,8-13H2,1H3.
What are the key properties of 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine?
4-(3-benzyl-1-propylpyrazol-5-yl)piperidine has a molecular weight of 283.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine is sourced from PubChem (CID 18187520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).