N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine

C17H23N3 — CID 107177279

IUPACN-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(-c2ccccc2)c1)C1CCCC1C
InChIInChI=1S/C17H23N3/c1-13-7-6-10-16(13)17(18-2)14-11-19-20(12-14)15-8-4-3-5-9-15/h3-5,8-9,11-13,16-18H,6-7,10H2,1-2H3
InChIKeyUYJJHCLQFSUJCY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.57
Rot. Bonds4

About N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine

N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 107177279) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine
PubChem CID107177279
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(-c2ccccc2)c1)C1CCCC1C
InChIInChI=1S/C17H23N3/c1-13-7-6-10-16(13)17(18-2)14-11-19-20(12-14)15-8-4-3-5-9-15/h3-5,8-9,11-13,16-18H,6-7,10H2,1-2H3
InChIKeyUYJJHCLQFSUJCY-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylcyclopropyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486036
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 62212980
N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 61276580
[(4-methylcyclohexyl)-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105311790
[cyclohexyl-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105282022
3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486019
4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
CID 61096953
2,3-dimethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 81473453
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine (CID 107177279) is N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine is CNC(c1cnn(-c2ccccc2)c1)C1CCCC1C.
What is the InChIKey of N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is UYJJHCLQFSUJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-7-6-10-16(13)17(18-2)14-11-19-20(12-14)15-8-4-3-5-9-15/h3-5,8-9,11-13,16-18H,6-7,10H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine?
N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 107177279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).