3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine

C16H30N4 — CID 66029991

IUPAC3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
SMILESCCCC1CCCN(c2c(N)c(C)nn2CCC)CC1
InChIInChI=1S/C16H30N4/c1-4-7-14-8-6-11-19(12-9-14)16-15(17)13(3)18-20(16)10-5-2/h14H,4-12,17H2,1-3H3
InChIKeyVINDEQZTVYKTDN-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.59
Rot. Bonds5

About 3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine

3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine (PubChem CID 66029991) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
PubChem CID66029991
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
SMILESCCCC1CCCN(c2c(N)c(C)nn2CCC)CC1
InChIInChI=1S/C16H30N4/c1-4-7-14-8-6-11-19(12-9-14)16-15(17)13(3)18-20(16)10-5-2/h14H,4-12,17H2,1-3H3
InChIKeyVINDEQZTVYKTDN-UHFFFAOYSA-N
XLogP3.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine?
The IUPAC name of 3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine (CID 66029991) is 3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine is CCCC1CCCN(c2c(N)c(C)nn2CCC)CC1.
What is the InChIKey of 3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine?
The InChIKey is VINDEQZTVYKTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-7-14-8-6-11-19(12-9-14)16-15(17)13(3)18-20(16)10-5-2/h14H,4-12,17H2,1-3H3.
What are the key properties of 3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine?
3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine has a molecular weight of 278.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine is sourced from PubChem (CID 66029991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).