N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine

C17H31N3 — CID 66441750

IUPACN-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)cnn1C1CCCCCC1
InChIInChI=1S/C17H31N3/c1-5-16-14(12-18-17(2,3)4)13-19-20(16)15-10-8-6-7-9-11-15/h13,15,18H,5-12H2,1-4H3
InChIKeyWMRHVPILLOJUST-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.23
Rot. Bonds4

About N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine

N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 66441750) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID66441750
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)cnn1C1CCCCCC1
InChIInChI=1S/C17H31N3/c1-5-16-14(12-18-17(2,3)4)13-19-20(16)15-10-8-6-7-9-11-15/h13,15,18H,5-12H2,1-4H3
InChIKeyWMRHVPILLOJUST-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine (CID 66441750) is N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine is CCc1c(CNC(C)(C)C)cnn1C1CCCCCC1.
What is the InChIKey of N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is WMRHVPILLOJUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-16-14(12-18-17(2,3)4)13-19-20(16)15-10-8-6-7-9-11-15/h13,15,18H,5-12H2,1-4H3.
What are the key properties of N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66441750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).