(1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine

C17H23N3 — CID 63079220

IUPAC(1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine
SMILESCCn1cc(C(N)C2(c3ccccc3)CCCC2)cn1
InChIInChI=1S/C17H23N3/c1-2-20-13-14(12-19-20)16(18)17(10-6-7-11-17)15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,2,6-7,10-11,18H2,1H3
InChIKeyPNNJOHQNUODSEM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.41
Rot. Bonds4

About (1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine

(1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine (PubChem CID 63079220) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine
PubChem CID63079220
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine
SMILESCCn1cc(C(N)C2(c3ccccc3)CCCC2)cn1
InChIInChI=1S/C17H23N3/c1-2-20-13-14(12-19-20)16(18)17(10-6-7-11-17)15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,2,6-7,10-11,18H2,1H3
InChIKeyPNNJOHQNUODSEM-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine
CID 55182305
[(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methyl]hydrazine
CID 105217294
(4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine
CID 114650869
[(1-phenylcyclobutyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105217295
(1-ethylimidazol-2-yl)-(1-phenylcyclopentyl)methanamine
CID 63968147
(4-fluorophenyl)-(1-phenylcyclohexyl)methanamine
CID 63417721
(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine
CID 63976828
(1-methylpyrazol-3-yl)-(1-phenylcyclopentyl)methanamine
CID 103130824
(1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine
CID 164650799
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079154
cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine?
The IUPAC name of (1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine (CID 63079220) is (1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine is CCn1cc(C(N)C2(c3ccccc3)CCCC2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine?
The InChIKey is PNNJOHQNUODSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-20-13-14(12-19-20)16(18)17(10-6-7-11-17)15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,2,6-7,10-11,18H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine?
(1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine is sourced from PubChem (CID 63079220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).