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

C18H20N8 — CID 159565025

IUPAC1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine
SMILESCn1nc(-c2cccnc2)cc1N.Cn1nc(N)cc1-c1cccnc1
InChIInChI=1S/2C9H10N4/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
InChIKeyMHBZZOYVLCVCLJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.13
Rot. Bonds2

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

1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine (PubChem CID 159565025) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine
PubChem CID159565025
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine
SMILESCn1nc(-c2cccnc2)cc1N.Cn1nc(N)cc1-c1cccnc1
InChIInChI=1S/2C9H10N4/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
InChIKeyMHBZZOYVLCVCLJ-UHFFFAOYSA-N
XLogP2.13
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-Pyridinylmethyl)-1H-pyrazol-5-amine
CID 1096898
FR-180204
CID 11493598
5-Pyridin-3-yl-2H-pyrazol-3-ylamine
CID 7446899
5-(2-Phenyl-pyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-ylamine
CID 53338808
4-methyl-1-(pyridin-3-ylmethyl)-1H-pyrazol-5-amine
CID 1096900
5-[5-[(1S,5R)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90292674
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
5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11724991

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine?
The IUPAC name of 1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine (CID 159565025) is 1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine.
What is the SMILES notation for 1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine?
The canonical SMILES for 1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine is Cn1nc(-c2cccnc2)cc1N.Cn1nc(N)cc1-c1cccnc1.
What is the InChIKey of 1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine?
The InChIKey is MHBZZOYVLCVCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N4/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.
What are the key properties of 1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine?
1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine has a molecular weight of 348.41 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine is sourced from PubChem (CID 159565025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).