methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine

C24H44N8 — CID 159170464

IUPACmethane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine
SMILESC.C.C.C.C.C.Cn1nc(-c2cccnc2)cc1N.Cn1nc(N)cc1-c1cccnc1
InChIInChI=1S/2C9H10N4.6CH4/c1-13-8(5-9(10)12-13)7-3-2-4-11-6-7;1-13-9(10)5-8(12-13)7-3-2-4-11-6-7;;;;;;/h2-6H,1H3,(H2,10,12);2-6H,10H2,1H3;6*1H4
InChIKeyKLPVBUMOTMWKMV-UHFFFAOYSA-N
MW444.67 g/mol
LogP5.95
Rot. Bonds2

About methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine

methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine (PubChem CID 159170464) has the molecular formula C24H44N8 and a molecular weight of 444.67 g/mol. Its IUPAC name is methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine.

Molecular Properties

Compound Namemethane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine
PubChem CID159170464
Molecular FormulaC24H44N8
Molecular Weight444.67 g/mol
Exact Mass444.37
IUPAC Namemethane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine
SMILESC.C.C.C.C.C.Cn1nc(-c2cccnc2)cc1N.Cn1nc(N)cc1-c1cccnc1
InChIInChI=1S/2C9H10N4.6CH4/c1-13-8(5-9(10)12-13)7-3-2-4-11-6-7;1-13-9(10)5-8(12-13)7-3-2-4-11-6-7;;;;;;/h2-6H,1H3,(H2,10,12);2-6H,10H2,1H3;6*1H4
InChIKeyKLPVBUMOTMWKMV-UHFFFAOYSA-N
XLogP5.95
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.67
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-Pyridinylmethyl)-1H-pyrazol-5-amine
CID 1096898
5-Pyridin-3-yl-2H-pyrazol-3-ylamine
CID 7446899
4-methyl-1-(pyridin-3-ylmethyl)-1H-pyrazol-5-amine
CID 1096900
1-Allyl-5-(2-phenylpyrazolo[1,5-A]pyridin-3-YL)-1H-pyrazolo[3,4-C]pyridazin-3-amine
CID 6419426
Arylpyrazole, 23
CID 44143423
N-(5-Piperidin-4-Yl-1-Propan-2-Yl-Pyrazol-3-Yl)-4-(Trifluoromethyl)pyridin-2-Amine
CID 91936969
US9670208, Example 115
CID 118216704
3-ethyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11484301
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224162
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224368
5-Amino-3-(4-fluorophenyl)-1-methyl-4-(4-pyridyl)pyrazole
CID 18674213
5-phenyl-3-propyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066385

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine?
The IUPAC name of methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine (CID 159170464) is methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine.
What is the SMILES notation for methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine?
The canonical SMILES for methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine is C.C.C.C.C.C.Cn1nc(-c2cccnc2)cc1N.Cn1nc(N)cc1-c1cccnc1.
What is the InChIKey of methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine?
The InChIKey is KLPVBUMOTMWKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N4.6CH4/c1-13-8(5-9(10)12-13)7-3-2-4-11-6-7;1-13-9(10)5-8(12-13)7-3-2-4-11-6-7;;;;;;/h2-6H,1H3,(H2,10,12);2-6H,10H2,1H3;6*1H4.
What are the key properties of methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine?
methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine has a molecular weight of 444.67 g/mol, XLogP of 5.95, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine is sourced from PubChem (CID 159170464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).