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

C10H13N5 — CID 61350597

IUPAC4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
SMILESCn1cc(CNc2ccncc2N)cn1
InChIInChI=1S/C10H13N5/c1-15-7-8(5-14-15)4-13-10-2-3-12-6-9(10)11/h2-3,5-7H,4,11H2,1H3,(H,12,13)
InChIKeyULQLPBHEMGFCKL-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.01
Rot. Bonds3

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

4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine (PubChem CID 61350597) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
PubChem CID61350597
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
SMILESCn1cc(CNc2ccncc2N)cn1
InChIInChI=1S/C10H13N5/c1-15-7-8(5-14-15)4-13-10-2-3-12-6-9(10)11/h2-3,5-7H,4,11H2,1H3,(H,12,13)
InChIKeyULQLPBHEMGFCKL-UHFFFAOYSA-N
XLogP1.01
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-5-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 103590050
2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 61350782
4-amino-3-[(1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 113444132
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
2-chloro-5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 113334227
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
CID 61348476
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
5-N-[2-(1-methylpyrazol-4-yl)ethyl]isoquinoline-5,8-diamine
CID 80680760
4-bromo-5-fluoro-2-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 116735599
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
CID 133443201

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine (CID 61350597) is 4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine is Cn1cc(CNc2ccncc2N)cn1.
What is the InChIKey of 4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine?
The InChIKey is ULQLPBHEMGFCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-15-7-8(5-14-15)4-13-10-2-3-12-6-9(10)11/h2-3,5-7H,4,11H2,1H3,(H,12,13).
What are the key properties of 4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine?
4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine has a molecular weight of 203.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 61350597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).