N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine

C15H28N4 — CID 107173417

IUPACN-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine
SMILESCCc1cc(CN(C)C2CCCNCC2)n(CC)n1
InChIInChI=1S/C15H28N4/c1-4-13-11-15(19(5-2)17-13)12-18(3)14-7-6-9-16-10-8-14/h11,14,16H,4-10,12H2,1-3H3
InChIKeyAXQZTEOLQSLEHE-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.04
Rot. Bonds5

About N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine

N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine (PubChem CID 107173417) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine
PubChem CID107173417
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine
SMILESCCc1cc(CN(C)C2CCCNCC2)n(CC)n1
InChIInChI=1S/C15H28N4/c1-4-13-11-15(19(5-2)17-13)12-18(3)14-7-6-9-16-10-8-14/h11,14,16H,4-10,12H2,1-3H3
InChIKeyAXQZTEOLQSLEHE-UHFFFAOYSA-N
XLogP2.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565553
N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 104974422
N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 63904236
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79716452
N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974374
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571150
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazepan-4-amine
CID 104974401
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one
CID 104679348
N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine
CID 107172131
N-ethyl-N-phenylazepan-4-amine
CID 112690283

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine?
The IUPAC name of N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine (CID 107173417) is N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine.
What is the SMILES notation for N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine?
The canonical SMILES for N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine is CCc1cc(CN(C)C2CCCNCC2)n(CC)n1.
What is the InChIKey of N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine?
The InChIKey is AXQZTEOLQSLEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-13-11-15(19(5-2)17-13)12-18(3)14-7-6-9-16-10-8-14/h11,14,16H,4-10,12H2,1-3H3.
What are the key properties of N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine?
N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine has a molecular weight of 264.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine is sourced from PubChem (CID 107173417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).