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

C15H26ClN3O — CID 114662072

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine
SMILESCCOC1(C(N)c2c(Cl)cnn2CC)CCCCCC1
InChIInChI=1S/C15H26ClN3O/c1-3-19-13(12(16)11-18-19)14(17)15(20-4-2)9-7-5-6-8-10-15/h11,14H,3-10,17H2,1-2H3
InChIKeyJVYKEVPPVJWVOA-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.69
Rot. Bonds5

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

(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine (PubChem CID 114662072) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine
PubChem CID114662072
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine
SMILESCCOC1(C(N)c2c(Cl)cnn2CC)CCCCCC1
InChIInChI=1S/C15H26ClN3O/c1-3-19-13(12(16)11-18-19)14(17)15(20-4-2)9-7-5-6-8-10-15/h11,14H,3-10,17H2,1-2H3
InChIKeyJVYKEVPPVJWVOA-UHFFFAOYSA-N
XLogP3.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661747
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661743
(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-phenylcyclopentyl)methanamine
CID 114650869
[(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270313
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645888
[(4-bromo-1-ethylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276358
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275862
(1-ethoxycyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114661832

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine (CID 114662072) is (4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine is CCOC1(C(N)c2c(Cl)cnn2CC)CCCCCC1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine?
The InChIKey is JVYKEVPPVJWVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-3-19-13(12(16)11-18-19)14(17)15(20-4-2)9-7-5-6-8-10-15/h11,14H,3-10,17H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine has a molecular weight of 299.85 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanamine is sourced from PubChem (CID 114662072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).