N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine

C18H33N3 — CID 105156057

IUPACN-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)nn1CC)C1CCCC(CC)C1
InChIInChI=1S/C18H33N3/c1-5-11-19-18(16-10-8-9-15(6-2)13-16)17-12-14(4)20-21(17)7-3/h12,15-16,18-19H,5-11,13H2,1-4H3
InChIKeyCFJCFGVVWOFUTP-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.47
Rot. Bonds7

About N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine

N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 105156057) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID105156057
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)nn1CC)C1CCCC(CC)C1
InChIInChI=1S/C18H33N3/c1-5-11-19-18(16-10-8-9-15(6-2)13-16)17-12-14(4)20-21(17)7-3/h12,15-16,18-19H,5-11,13H2,1-4H3
InChIKeyCFJCFGVVWOFUTP-UHFFFAOYSA-N
XLogP4.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139280
N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 105156073
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499
N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688103
N-[(3,6-dimethylpyridazin-4-yl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 105156216
N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105079721
N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 65415353
1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
CID 105176375
N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194
N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 104992258
1-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpropan-2-amine
CID 105002712
N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105156132

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine (CID 105156057) is N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1cc(C)nn1CC)C1CCCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is CFJCFGVVWOFUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-11-19-18(16-10-8-9-15(6-2)13-16)17-12-14(4)20-21(17)7-3/h12,15-16,18-19H,5-11,13H2,1-4H3.
What are the key properties of N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105156057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).