(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

C14H25N3 — CID 81391425

IUPAC(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESC[C@H](NCc1cnn(C)c1)C1CCCCCC1
InChIInChI=1S/C14H25N3/c1-12(14-7-5-3-4-6-8-14)15-9-13-10-16-17(2)11-13/h10-12,14-15H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyRTVKIMFEOQJLGA-LBPRGKRZSA-N
MW235.37 g/mol
LogP2.87
Rot. Bonds4

About (1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 81391425) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID81391425
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESC[C@H](NCc1cnn(C)c1)C1CCCCCC1
InChIInChI=1S/C14H25N3/c1-12(14-7-5-3-4-6-8-14)15-9-13-10-16-17(2)11-13/h10-12,14-15H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyRTVKIMFEOQJLGA-LBPRGKRZSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81391282
(1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 81384664
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 64920356
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
(1R)-1-cycloheptyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81392354
(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088566
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740523

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (CID 81391425) is (1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is C[C@H](NCc1cnn(C)c1)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is RTVKIMFEOQJLGA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(14-7-5-3-4-6-8-14)15-9-13-10-16-17(2)11-13/h10-12,14-15H,3-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81391425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).