N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine

C17H31N3 — CID 63974485

IUPACN-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CCC)C1CCC(C)CC1
InChIInChI=1S/C17H31N3/c1-4-11-18-17(15-8-6-14(3)7-9-15)16-10-12-19-20(16)13-5-2/h10,12,14-15,17-18H,4-9,11,13H2,1-3H3
InChIKeyIPKNWCKCLCOBJA-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.16
Rot. Bonds7

About N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine

N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 63974485) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID63974485
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CCC)C1CCC(C)CC1
InChIInChI=1S/C17H31N3/c1-4-11-18-17(15-8-6-14(3)7-9-15)16-10-12-19-20(16)13-5-2/h10,12,14-15,17-18H,4-9,11,13H2,1-3H3
InChIKeyIPKNWCKCLCOBJA-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 65334450
N-[(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115387314
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649242
N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65395621
N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107188801
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 79960941
N-methyl-1-(2-propylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148223
N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330423
N-[(3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63963526
N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 79963660

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine (CID 63974485) is N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccnn1CCC)C1CCC(C)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is IPKNWCKCLCOBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-11-18-17(15-8-6-14(3)7-9-15)16-10-12-19-20(16)13-5-2/h10,12,14-15,17-18H,4-9,11,13H2,1-3H3.
What are the key properties of N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63974485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).