2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine

C18H25N3 — CID 114457498

IUPAC2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESNC(CC1CCCCCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H25N3/c19-18(12-15-8-4-1-2-5-9-15)16-13-20-21(14-16)17-10-6-3-7-11-17/h3,6-7,10-11,13-15,18H,1-2,4-5,8-9,12,19H2
InChIKeyVPMBVNPBJGZRFP-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.23
Rot. Bonds4

About 2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine

2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine (PubChem CID 114457498) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
PubChem CID114457498
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESNC(CC1CCCCCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H25N3/c19-18(12-15-8-4-1-2-5-9-15)16-13-20-21(14-16)17-10-6-3-7-11-17/h3,6-7,10-11,13-15,18H,1-2,4-5,8-9,12,19H2
InChIKeyVPMBVNPBJGZRFP-UHFFFAOYSA-N
XLogP4.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105138644
4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole
CID 63433194
[cyclohexyl-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105282022
cyclohexyl-(1-phenylpyrazol-4-yl)methanol
CID 61088953
2-cycloheptyl-1-phenylethanamine
CID 21261900
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 115816159
3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486019
4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
CID 61096953
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 65150583
4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine (CID 114457498) is 2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine is NC(CC1CCCCCC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is VPMBVNPBJGZRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c19-18(12-15-8-4-1-2-5-9-15)16-13-20-21(14-16)17-10-6-3-7-11-17/h3,6-7,10-11,13-15,18H,1-2,4-5,8-9,12,19H2.
What are the key properties of 2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine?
2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 114457498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).