N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine

C14H25N3 — CID 112549120

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
SMILESCCc1nn(C)cc1CNC1CCCCCC1
InChIInChI=1S/C14H25N3/c1-3-14-12(11-17(2)16-14)10-15-13-8-6-4-5-7-9-13/h11,13,15H,3-10H2,1-2H3
InChIKeyQDTQGGJJPJLLFJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.79
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine (PubChem CID 112549120) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
PubChem CID112549120
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
SMILESCCc1nn(C)cc1CNC1CCCCCC1
InChIInChI=1S/C14H25N3/c1-3-14-12(11-17(2)16-14)10-15-13-8-6-4-5-7-9-13/h11,13,15H,3-10H2,1-2H3
InChIKeyQDTQGGJJPJLLFJ-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103893990
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 103893993
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 115885666
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112549288
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 112668826
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine
CID 112668397
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
CID 115885655
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride
CID 166449724

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine (CID 112549120) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine is CCc1nn(C)cc1CNC1CCCCCC1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine?
The InChIKey is QDTQGGJJPJLLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-14-12(11-17(2)16-14)10-15-13-8-6-4-5-7-9-13/h11,13,15H,3-10H2,1-2H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine has a molecular weight of 235.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine is sourced from PubChem (CID 112549120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).