N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine

C12H21N5 — CID 12763855

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine
SMILESCc1cc(NC2=NCCN2)n(CCC(C)C)n1
InChIInChI=1S/C12H21N5/c1-9(2)4-7-17-11(8-10(3)16-17)15-12-13-5-6-14-12/h8-9H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyQUVYDPBATCEQLI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.61
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine (PubChem CID 12763855) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine
PubChem CID12763855
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine
SMILESCc1cc(NC2=NCCN2)n(CCC(C)C)n1
InChIInChI=1S/C12H21N5/c1-9(2)4-7-17-11(8-10(3)16-17)15-12-13-5-6-14-12/h8-9H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyQUVYDPBATCEQLI-UHFFFAOYSA-N
XLogP1.61
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine (CID 12763855) is N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine is Cc1cc(NC2=NCCN2)n(CCC(C)C)n1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine?
The InChIKey is QUVYDPBATCEQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9(2)4-7-17-11(8-10(3)16-17)15-12-13-5-6-14-12/h8-9H,4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine has a molecular weight of 235.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2-(3-methylbutyl)pyrazol-3-amine is sourced from PubChem (CID 12763855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).