3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine

C18H25N3 — CID 43486019

IUPAC3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCC1CCCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H25N3/c1-19-18(12-11-15-7-5-6-8-15)16-13-20-21(14-16)17-9-3-2-4-10-17/h2-4,9-10,13-15,18-19H,5-8,11-12H2,1H3
InChIKeyMXWGGYIJGKOPFT-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.10
Rot. Bonds6

About 3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine

3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine (PubChem CID 43486019) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
PubChem CID43486019
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCC1CCCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H25N3/c1-19-18(12-11-15-7-5-6-8-15)16-13-20-21(14-16)17-9-3-2-4-10-17/h2-4,9-10,13-15,18-19H,5-8,11-12H2,1H3
InChIKeyMXWGGYIJGKOPFT-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429
4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole
CID 63433194
2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 114457498
N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 107177279
N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 62212980
[3-cyclopentyl-1-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 105288733
[cyclohexyl-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105282022
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468
N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 61276580
N-methyl-1-(2-methylcyclopropyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486036

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine (CID 43486019) is 3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine is CNC(CCC1CCCC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine?
The InChIKey is MXWGGYIJGKOPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-19-18(12-11-15-7-5-6-8-15)16-13-20-21(14-16)17-9-3-2-4-10-17/h2-4,9-10,13-15,18-19H,5-8,11-12H2,1H3.
What are the key properties of 3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine?
3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 43486019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).