N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine

C13H24N4 — CID 103981520

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine
SMILESCc1c(C(C)NC2CCCNCC2)cnn1C
InChIInChI=1S/C13H24N4/c1-10(13-9-15-17(3)11(13)2)16-12-5-4-7-14-8-6-12/h9-10,12,14,16H,4-8H2,1-3H3
InChIKeyOIWNSMBLNZNVGP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.52
Rot. Bonds3

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine (PubChem CID 103981520) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine
PubChem CID103981520
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine
SMILESCc1c(C(C)NC2CCCNCC2)cnn1C
InChIInChI=1S/C13H24N4/c1-10(13-9-15-17(3)11(13)2)16-12-5-4-7-14-8-6-12/h9-10,12,14,16H,4-8H2,1-3H3
InChIKeyOIWNSMBLNZNVGP-UHFFFAOYSA-N
XLogP1.52
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,1-dioxothian-4-amine
CID 43752008
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43435522
2-(cyclohexylamino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584074
1-cyclopropyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylpyrrolidin-3-amine
CID 115709368
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43435521
N-[1-(2-fluorophenyl)ethyl]azepan-4-amine
CID 103981604
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79535964
N-[1-(4-chlorophenyl)ethyl]azepan-4-amine
CID 113361388
2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
CID 79584630
methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79584453
N-(dicyclopropylmethyl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 43751954
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine (CID 103981520) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine is Cc1c(C(C)NC2CCCNCC2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine?
The InChIKey is OIWNSMBLNZNVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(13-9-15-17(3)11(13)2)16-12-5-4-7-14-8-6-12/h9-10,12,14,16H,4-8H2,1-3H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine is sourced from PubChem (CID 103981520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).