1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole

C16H21N3 — CID 125436875

IUPAC1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
SMILESC[C@H](c1ccc(-c2cnn(C)c2)cc1)N1CCCC1
InChIInChI=1S/C16H21N3/c1-13(19-9-3-4-10-19)14-5-7-15(8-6-14)16-11-17-18(2)12-16/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m1/s1
InChIKeyZOLZPXVMFVCLTJ-CYBMUJFWSA-N
MW255.37 g/mol
LogP3.24
Rot. Bonds3

About 1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole

1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole (PubChem CID 125436875) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
PubChem CID125436875
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
SMILESC[C@H](c1ccc(-c2cnn(C)c2)cc1)N1CCCC1
InChIInChI=1S/C16H21N3/c1-13(19-9-3-4-10-19)14-5-7-15(8-6-14)16-11-17-18(2)12-16/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m1/s1
InChIKeyZOLZPXVMFVCLTJ-CYBMUJFWSA-N
XLogP3.24
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 61033157
3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 11602342
5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole
CID 122558610
5-fluoro-2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 126453075
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
1-[1-[4-(4-thiophen-3-ylphenyl)phenyl]ethyl]pyrrolidine
CID 11515502
3-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1,2,5-thiadiazole
CID 126438753
N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 54980019
2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126448157
1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine
CID 72914284
1-[1-(4-bromophenyl)ethyl]pyrrolidine
CID 12738008
2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine
CID 50977546

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole?
The IUPAC name of 1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole (CID 125436875) is 1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole?
The canonical SMILES for 1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole is C[C@H](c1ccc(-c2cnn(C)c2)cc1)N1CCCC1.
What is the InChIKey of 1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole?
The InChIKey is ZOLZPXVMFVCLTJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(19-9-3-4-10-19)14-5-7-15(8-6-14)16-11-17-18(2)12-16/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole?
1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole has a molecular weight of 255.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole is sourced from PubChem (CID 125436875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).