N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine

C17H31N3 — CID 105079721

IUPACN-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(CC)nn1CC)C1CCCCC1
InChIInChI=1S/C17H31N3/c1-4-12-18-17(14-10-8-7-9-11-14)16-13-15(5-2)19-20(16)6-3/h13-14,17-18H,4-12H2,1-3H3
InChIKeySRBIPKUAFTUJHG-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.09
Rot. Bonds7

About N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine

N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine (PubChem CID 105079721) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
PubChem CID105079721
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(CC)nn1CC)C1CCCCC1
InChIInChI=1S/C17H31N3/c1-4-12-18-17(14-10-8-7-9-11-14)16-13-15(5-2)19-20(16)6-3/h13-14,17-18H,4-12H2,1-3H3
InChIKeySRBIPKUAFTUJHG-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194
1-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105079431
[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105282054
N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
CID 105135714
N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 105154223
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139280
N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105156057
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
N-[cyclohepten-1-yl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 106657100
1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
CID 105176375
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine (CID 105079721) is N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine is CCCNC(c1cc(CC)nn1CC)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is SRBIPKUAFTUJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-12-18-17(14-10-8-7-9-11-14)16-13-15(5-2)19-20(16)6-3/h13-14,17-18H,4-12H2,1-3H3.
What are the key properties of N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine?
N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105079721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).