(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine

C15H26ClN3O — CID 114661932

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)C1(OC)CCC(C)CC1
InChIInChI=1S/C15H26ClN3O/c1-4-9-19-13(12(16)10-18-19)14(17)15(20-3)7-5-11(2)6-8-15/h10-11,14H,4-9,17H2,1-3H3
InChIKeyYBJCDDMXNKOOKU-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.54
Rot. Bonds5

About (4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine

(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine (PubChem CID 114661932) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine
PubChem CID114661932
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)C1(OC)CCC(C)CC1
InChIInChI=1S/C15H26ClN3O/c1-4-9-19-13(12(16)10-18-19)14(17)15(20-3)7-5-11(2)6-8-15/h10-11,14H,4-9,17H2,1-3H3
InChIKeyYBJCDDMXNKOOKU-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 114662026
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910
(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661747
1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 114661992
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
CID 114662044
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanamine
CID 114658538
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649242
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 114661347
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105054611

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine (CID 114661932) is (4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine is CCCn1ncc(Cl)c1C(N)C1(OC)CCC(C)CC1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine?
The InChIKey is YBJCDDMXNKOOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-4-9-19-13(12(16)10-18-19)14(17)15(20-3)7-5-11(2)6-8-15/h10-11,14H,4-9,17H2,1-3H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine?
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine has a molecular weight of 299.85 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine is sourced from PubChem (CID 114661932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).