N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine

C16H29N3O — CID 105047944

IUPACN-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(OC)cnn1CC)C1(C)CCCC1
InChIInChI=1S/C16H29N3O/c1-5-11-17-15(16(3)9-7-8-10-16)14-13(20-4)12-18-19(14)6-2/h12,15,17H,5-11H2,1-4H3
InChIKeySDELXSFZNRALNM-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.53
Rot. Bonds7

About N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine

N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 105047944) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
PubChem CID105047944
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(OC)cnn1CC)C1(C)CCCC1
InChIInChI=1S/C16H29N3O/c1-5-11-17-15(16(3)9-7-8-10-16)14-13(20-4)12-18-19(14)6-2/h12,15,17H,5-11H2,1-4H3
InChIKeySDELXSFZNRALNM-UHFFFAOYSA-N
XLogP3.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048052
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105048293
[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831384
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105054630
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830652
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine
CID 114648681
[(4-methoxy-1-propylpyrazol-5-yl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253412
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine
CID 114652904
N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105052066
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105047858
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105047733

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine (CID 105047944) is N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1c(OC)cnn1CC)C1(C)CCCC1.
What is the InChIKey of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is SDELXSFZNRALNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-11-17-15(16(3)9-7-8-10-16)14-13(20-4)12-18-19(14)6-2/h12,15,17H,5-11H2,1-4H3.
What are the key properties of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine?
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 105047944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).