1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole

C17H25N3 — CID 64776964

IUPAC1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
SMILESCc1cn(Cc2ccn(C3CCCCC3)n2)c(C)c1C
InChIInChI=1S/C17H25N3/c1-13-11-19(15(3)14(13)2)12-16-9-10-20(18-16)17-7-5-4-6-8-17/h9-11,17H,4-8,12H2,1-3H3
InChIKeyLQRUATPKOXSNLW-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.16
Rot. Bonds3

About 1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole

1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole (PubChem CID 64776964) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
PubChem CID64776964
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
SMILESCc1cn(Cc2ccn(C3CCCCC3)n2)c(C)c1C
InChIInChI=1S/C17H25N3/c1-13-11-19(15(3)14(13)2)12-16-9-10-20(18-16)17-7-5-4-6-8-17/h9-11,17H,4-8,12H2,1-3H3
InChIKeyLQRUATPKOXSNLW-UHFFFAOYSA-N
XLogP4.16
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776963
1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole
CID 116620406
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole
CID 64779569
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol
CID 79106230
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 113259046
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine
CID 64779302

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole?
The IUPAC name of 1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole (CID 64776964) is 1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole?
The canonical SMILES for 1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole is Cc1cn(Cc2ccn(C3CCCCC3)n2)c(C)c1C.
What is the InChIKey of 1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole?
The InChIKey is LQRUATPKOXSNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13-11-19(15(3)14(13)2)12-16-9-10-20(18-16)17-7-5-4-6-8-17/h9-11,17H,4-8,12H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole?
1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole has a molecular weight of 271.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole is sourced from PubChem (CID 64776964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).