1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine

C24H34N4 — CID 175321770

IUPAC1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine
SMILESc1ccc(-n2cc(N3CCC(CCN4CCCC4)CC3)c(C3CCC3)n2)cc1
InChIInChI=1S/C24H34N4/c1-2-9-22(10-3-1)28-19-23(24(25-28)21-7-6-8-21)27-17-12-20(13-18-27)11-16-26-14-4-5-15-26/h1-3,9-10,19-21H,4-8,11-18H2
InChIKeyXISMMXGAJCQFEI-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.84
Rot. Bonds6

About 1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine

1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine (PubChem CID 175321770) has the molecular formula C24H34N4 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine.

Molecular Properties

Compound Name1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine
PubChem CID175321770
Molecular FormulaC24H34N4
Molecular Weight378.56 g/mol
Exact Mass378.28
IUPAC Name1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine
SMILESc1ccc(-n2cc(N3CCC(CCN4CCCC4)CC3)c(C3CCC3)n2)cc1
InChIInChI=1S/C24H34N4/c1-2-9-22(10-3-1)28-19-23(24(25-28)21-7-6-8-21)27-17-12-20(13-18-27)11-16-26-14-4-5-15-26/h1-3,9-10,19-21H,4-8,11-18H2
InChIKeyXISMMXGAJCQFEI-UHFFFAOYSA-N
XLogP4.84
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine
CID 174915811
1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine
CID 171069708
3-cyclopentyl-1-phenylpyrazol-4-amine
CID 83217224
3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde
CID 83885760
methyl 3-cyclobutyl-1-phenyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741740
1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171069499
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole
CID 118949003
1-(2-cyclopropylethyl)pyrrolidine
CID 67632943
3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743910
5-acetamido-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]benzoic acid
CID 50806957
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine?
The IUPAC name of 1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine (CID 175321770) is 1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine.
What is the SMILES notation for 1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine?
The canonical SMILES for 1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine is c1ccc(-n2cc(N3CCC(CCN4CCCC4)CC3)c(C3CCC3)n2)cc1.
What is the InChIKey of 1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine?
The InChIKey is XISMMXGAJCQFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4/c1-2-9-22(10-3-1)28-19-23(24(25-28)21-7-6-8-21)27-17-12-20(13-18-27)11-16-26-14-4-5-15-26/h1-3,9-10,19-21H,4-8,11-18H2.
What are the key properties of 1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine?
1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine has a molecular weight of 378.56 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine is sourced from PubChem (CID 175321770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).