(4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine

C17H22ClN3 — CID 114650869

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H22ClN3/c1-2-21-15(14(18)12-20-21)16(19)17(10-6-7-11-17)13-8-4-3-5-9-13/h3-5,8-9,12,16H,2,6-7,10-11,19H2,1H3
InChIKeyFBNGYFJVQZJBHZ-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.07
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine

(4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine (PubChem CID 114650869) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine
PubChem CID114650869
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H22ClN3/c1-2-21-15(14(18)12-20-21)16(19)17(10-6-7-11-17)13-8-4-3-5-9-13/h3-5,8-9,12,16H,2,6-7,10-11,19H2,1H3
InChIKeyFBNGYFJVQZJBHZ-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105040461
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658531
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine
CID 114662072
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910
(1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine
CID 63079220
(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine
CID 55182305
[(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine
CID 105217367
[(4-chloro-1-ethylpyrazol-5-yl)-phenylmethyl]hydrazine
CID 105199252
[(4-chloro-1-ethylpyrazol-5-yl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105336392
[(2-ethylpyrazol-3-yl)-(1-phenylcyclopentyl)methyl]hydrazine
CID 105217491
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine
CID 114662146

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine (CID 114650869) is (4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine is CCn1ncc(Cl)c1C(N)C1(c2ccccc2)CCCC1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine?
The InChIKey is FBNGYFJVQZJBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-2-21-15(14(18)12-20-21)16(19)17(10-6-7-11-17)13-8-4-3-5-9-13/h3-5,8-9,12,16H,2,6-7,10-11,19H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine has a molecular weight of 303.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine is sourced from PubChem (CID 114650869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).