1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine

C16H30N4 — CID 63795740

IUPAC1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N1CCCC(C)CC1
InChIInChI=1S/C16H30N4/c1-5-14(17)11-15-13(3)18-19(4)16(15)20-9-6-7-12(2)8-10-20/h12,14H,5-11,17H2,1-4H3
InChIKeyPLJCIQFAVVXCFA-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.63
Rot. Bonds4

About 1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine

1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine (PubChem CID 63795740) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine
PubChem CID63795740
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N1CCCC(C)CC1
InChIInChI=1S/C16H30N4/c1-5-14(17)11-15-13(3)18-19(4)16(15)20-9-6-7-12(2)8-10-20/h12,14H,5-11,17H2,1-4H3
InChIKeyPLJCIQFAVVXCFA-UHFFFAOYSA-N
XLogP2.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine (CID 63795740) is 1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine is CCC(N)Cc1c(C)nn(C)c1N1CCCC(C)CC1.
What is the InChIKey of 1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine?
The InChIKey is PLJCIQFAVVXCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-14(17)11-15-13(3)18-19(4)16(15)20-9-6-7-12(2)8-10-20/h12,14H,5-11,17H2,1-4H3.
What are the key properties of 1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine?
1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 63795740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).