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

C16H23N3 — CID 64776963

IUPAC1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
SMILESCc1cn(Cc2ccn(C3CCCC3)n2)c(C)c1C
InChIInChI=1S/C16H23N3/c1-12-10-18(14(3)13(12)2)11-15-8-9-19(17-15)16-6-4-5-7-16/h8-10,16H,4-7,11H2,1-3H3
InChIKeyQERZLXMEAAITHN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.77
Rot. Bonds3

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

1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole (PubChem CID 64776963) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
PubChem CID64776963
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
SMILESCc1cn(Cc2ccn(C3CCCC3)n2)c(C)c1C
InChIInChI=1S/C16H23N3/c1-12-10-18(14(3)13(12)2)11-15-8-9-19(17-15)16-6-4-5-7-16/h8-10,16H,4-7,11H2,1-3H3
InChIKeyQERZLXMEAAITHN-UHFFFAOYSA-N
XLogP3.77
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776964
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole
CID 116620406
1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole
CID 64779569
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 113259046
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66407470
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
5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 64799958
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 64785538

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole?
The IUPAC name of 1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole (CID 64776963) is 1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole?
The canonical SMILES for 1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole is Cc1cn(Cc2ccn(C3CCCC3)n2)c(C)c1C.
What is the InChIKey of 1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole?
The InChIKey is QERZLXMEAAITHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-10-18(14(3)13(12)2)11-15-8-9-19(17-15)16-6-4-5-7-16/h8-10,16H,4-7,11H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole?
1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole has a molecular weight of 257.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole is sourced from PubChem (CID 64776963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).