3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine

C10H16N6 — CID 103078919

IUPAC3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NCCCc2ncc[nH]2)n1
InChIInChI=1S/C10H16N6/c1-16-7-8(11)10(15-16)14-4-2-3-9-12-5-6-13-9/h5-7H,2-4,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyUVUWXGGFWISULX-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.77
Rot. Bonds5

About 3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine

3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine (PubChem CID 103078919) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine
PubChem CID103078919
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NCCCc2ncc[nH]2)n1
InChIInChI=1S/C10H16N6/c1-16-7-8(11)10(15-16)14-4-2-3-9-12-5-6-13-9/h5-7H,2-4,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyUVUWXGGFWISULX-UHFFFAOYSA-N
XLogP0.77
TPSA84.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-butyl-1-methylpyrazole-3,4-diamine
CID 90481031
1-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078356
5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide
CID 106234066
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine
CID 102769078
3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine
CID 114156826
2-fluoro-1-N-[3-(1H-imidazol-2-yl)propyl]-5-methoxybenzene-1,4-diamine
CID 107259623
8-N-[3-(1H-imidazol-2-yl)propyl]isoquinoline-5,8-diamine
CID 103139262
N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 141191562
N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 114401174
3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078331
2-[2-amino-5-[3-(1H-imidazol-2-yl)propylamino]phenyl]acetonitrile
CID 102624716

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine (CID 103078919) is 3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine is Cn1cc(N)c(NCCCc2ncc[nH]2)n1.
What is the InChIKey of 3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine?
The InChIKey is UVUWXGGFWISULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-16-7-8(11)10(15-16)14-4-2-3-9-12-5-6-13-9/h5-7H,2-4,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine?
3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine has a molecular weight of 220.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).