5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine

C14H23N5 — CID 142058176

IUPAC5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine
SMILESCCCC(CCNc1cc(C)[nH]n1)c1nc[nH]c1C
InChIInChI=1S/C14H23N5/c1-4-5-12(14-11(3)16-9-17-14)6-7-15-13-8-10(2)18-19-13/h8-9,12H,4-7H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyZDBLIMKMQYRPTB-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.14
Rot. Bonds7

About 5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine

5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine (PubChem CID 142058176) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine
PubChem CID142058176
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine
SMILESCCCC(CCNc1cc(C)[nH]n1)c1nc[nH]c1C
InChIInChI=1S/C14H23N5/c1-4-5-12(14-11(3)16-9-17-14)6-7-15-13-8-10(2)18-19-13/h8-9,12H,4-7H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyZDBLIMKMQYRPTB-UHFFFAOYSA-N
XLogP3.14
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine (CID 142058176) is 5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine is CCCC(CCNc1cc(C)[nH]n1)c1nc[nH]c1C.
What is the InChIKey of 5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine?
The InChIKey is ZDBLIMKMQYRPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-5-12(14-11(3)16-9-17-14)6-7-15-13-8-10(2)18-19-13/h8-9,12H,4-7H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine?
5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine has a molecular weight of 261.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(5-methyl-1H-imidazol-4-yl)hexyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 142058176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).