3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine

C11H15N5 — CID 104540597

IUPAC3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
SMILESCn1cc(CCNc2cccnc2N)cn1
InChIInChI=1S/C11H15N5/c1-16-8-9(7-15-16)4-6-13-10-3-2-5-14-11(10)12/h2-3,5,7-8,13H,4,6H2,1H3,(H2,12,14)
InChIKeyVJGOTHFRORLXGM-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.05
Rot. Bonds4

About 3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine

3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine (PubChem CID 104540597) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
PubChem CID104540597
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
SMILESCn1cc(CCNc2cccnc2N)cn1
InChIInChI=1S/C11H15N5/c1-16-8-9(7-15-16)4-6-13-10-3-2-5-14-11(10)12/h2-3,5,7-8,13H,4,6H2,1H3,(H2,12,14)
InChIKeyVJGOTHFRORLXGM-UHFFFAOYSA-N
XLogP1.05
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 113392755
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002
5-N-[2-(1-methylpyrazol-4-yl)ethyl]isoquinoline-5,8-diamine
CID 80680760
3-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 80681228
6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913
2-bromo-6-[2-(1-methylpyrazol-4-yl)ethylamino]benzenecarbothioamide
CID 114882588
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106594742
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 80691393
5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364597
6-N-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 80681156
4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 83007960
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
CID 114287753

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine (CID 104540597) is 3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine is Cn1cc(CCNc2cccnc2N)cn1.
What is the InChIKey of 3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is VJGOTHFRORLXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-16-8-9(7-15-16)4-6-13-10-3-2-5-14-11(10)12/h2-3,5,7-8,13H,4,6H2,1H3,(H2,12,14).
What are the key properties of 3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 217.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 104540597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).