4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole

C16H21N3 — CID 77090296

IUPAC4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole
SMILESCC(C)c1ccc(-n2cc(CN3CCC3)cn2)cc1
InChIInChI=1S/C16H21N3/c1-13(2)15-4-6-16(7-5-15)19-12-14(10-17-19)11-18-8-3-9-18/h4-7,10,12-13H,3,8-9,11H2,1-2H3
InChIKeyDIORNZRUPXACHV-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.20
Rot. Bonds4

About 4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole

4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole (PubChem CID 77090296) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole
PubChem CID77090296
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole
SMILESCC(C)c1ccc(-n2cc(CN3CCC3)cn2)cc1
InChIInChI=1S/C16H21N3/c1-13(2)15-4-6-16(7-5-15)19-12-14(10-17-19)11-18-8-3-9-18/h4-7,10,12-13H,3,8-9,11H2,1-2H3
InChIKeyDIORNZRUPXACHV-UHFFFAOYSA-N
XLogP3.20
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine
CID 77082922
[(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 95223952
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 133117300
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol
CID 50949483
(3R,4S)-4-hydroxy-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]-3-propylpiperidine-3-carboxylic acid
CID 163308872
1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine
CID 126605115
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
(4R)-1-[[1-(4-butylphenyl)pyrazol-4-yl]methyl]-4-(hydroxymethyl)azepan-4-ol
CID 95713969
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
(4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
CID 110170343
2-[4-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 135659014

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole?
The IUPAC name of 4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole (CID 77090296) is 4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole is CC(C)c1ccc(-n2cc(CN3CCC3)cn2)cc1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole?
The InChIKey is DIORNZRUPXACHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(2)15-4-6-16(7-5-15)19-12-14(10-17-19)11-18-8-3-9-18/h4-7,10,12-13H,3,8-9,11H2,1-2H3.
What are the key properties of 4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole?
4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole has a molecular weight of 255.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole is sourced from PubChem (CID 77090296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).