3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine

C16H30N4 — CID 66029993

IUPAC3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1N1CCCC(C(C)C)CC1
InChIInChI=1S/C16H30N4/c1-5-9-20-16(15(17)13(4)18-20)19-10-6-7-14(8-11-19)12(2)3/h12,14H,5-11,17H2,1-4H3
InChIKeySROGRLDJECIOHN-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.45
Rot. Bonds4

About 3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine

3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine (PubChem CID 66029993) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine
PubChem CID66029993
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1N1CCCC(C(C)C)CC1
InChIInChI=1S/C16H30N4/c1-5-9-20-16(15(17)13(4)18-20)19-10-6-7-14(8-11-19)12(2)3/h12,14H,5-11,17H2,1-4H3
InChIKeySROGRLDJECIOHN-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azetidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 130546598
3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
CID 66029991
5-(azocan-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66028751
[1-(4-amino-3-methyl-1-propylpyrazol-5-yl)piperidin-4-yl]methanol
CID 66029931
2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol
CID 107213981
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66027460
1-ethyl-3-methyl-5-piperidin-1-ylpyrazol-4-amine
CID 66012579
1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol
CID 112624222
1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine
CID 66028595
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66027455
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66027456
[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)piperidin-3-yl]methanol
CID 66012620

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine (CID 66029993) is 3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1N1CCCC(C(C)C)CC1.
What is the InChIKey of 3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine?
The InChIKey is SROGRLDJECIOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-9-20-16(15(17)13(4)18-20)19-10-6-7-14(8-11-19)12(2)3/h12,14H,5-11,17H2,1-4H3.
What are the key properties of 3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine?
3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine has a molecular weight of 278.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine is sourced from PubChem (CID 66029993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).