N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine

C8H13N5 — CID 115601212

IUPACN-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCn1nccc1CNC1=NCCN1
InChIInChI=1S/C8H13N5/c1-13-7(2-3-12-13)6-11-8-9-4-5-10-8/h2-3H,4-6H2,1H3,(H2,9,10,11)
InChIKeyIGAIHISBZGSBEK-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.53
Rot. Bonds2

About N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine

N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115601212) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115601212
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCn1nccc1CNC1=NCCN1
InChIInChI=1S/C8H13N5/c1-13-7(2-3-12-13)6-11-8-9-4-5-10-8/h2-3H,4-6H2,1H3,(H2,9,10,11)
InChIKeyIGAIHISBZGSBEK-UHFFFAOYSA-N
XLogP-0.53
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 115601212) is N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine is Cn1nccc1CNC1=NCCN1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is IGAIHISBZGSBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-13-7(2-3-12-13)6-11-8-9-4-5-10-8/h2-3H,4-6H2,1H3,(H2,9,10,11).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 179.23 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115601212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).