N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine

C17H29N3O — CID 114667245

IUPACN-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
SMILESCCCn1ncc(OC)c1C1CCCCC1CNC1CC1
InChIInChI=1S/C17H29N3O/c1-3-10-20-17(16(21-2)12-19-20)15-7-5-4-6-13(15)11-18-14-8-9-14/h12-15,18H,3-11H2,1-2H3
InChIKeyYXEFJGBHWPWKON-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.33
Rot. Bonds7

About N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine

N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 114667245) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
PubChem CID114667245
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
SMILESCCCn1ncc(OC)c1C1CCCCC1CNC1CC1
InChIInChI=1S/C17H29N3O/c1-3-10-20-17(16(21-2)12-19-20)15-7-5-4-6-13(15)11-18-14-8-9-14/h12-15,18H,3-11H2,1-2H3
InChIKeyYXEFJGBHWPWKON-UHFFFAOYSA-N
XLogP3.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine
CID 114662955
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
CID 114667254
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine
CID 114667373
N-[[2-(4-chloro-1-propylpyrazol-5-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114667437
N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
CID 114667118
N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine
CID 114662948
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 114667257
3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine
CID 114664731
N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine
CID 114667230
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114667267
2-[5-(2-bromocyclohexyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114662602
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine
CID 114664710

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine (CID 114667245) is N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine is CCCn1ncc(OC)c1C1CCCCC1CNC1CC1.
What is the InChIKey of N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is YXEFJGBHWPWKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-10-20-17(16(21-2)12-19-20)15-7-5-4-6-13(15)11-18-14-8-9-14/h12-15,18H,3-11H2,1-2H3.
What are the key properties of N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine?
N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 291.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 114667245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).