2-(pyridin-3-ylmethyl)pyrazol-3-amine

C9H10N4 — CID 1096899

IUPAC2-(pyridin-3-ylmethyl)pyrazol-3-amine
SMILESNc1ccnn1Cc1cccnc1
InChIInChI=1S/C9H10N4/c10-9-3-5-12-13(9)7-8-2-1-4-11-6-8/h1-6H,7,10H2
InChIKeyPXWHIPMNNBFUIO-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.91
Rot. Bonds2

About 2-(pyridin-3-ylmethyl)pyrazol-3-amine

2-(pyridin-3-ylmethyl)pyrazol-3-amine (PubChem CID 1096899) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)pyrazol-3-amine
PubChem CID1096899
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-(pyridin-3-ylmethyl)pyrazol-3-amine
SMILESNc1ccnn1Cc1cccnc1
InChIInChI=1S/C9H10N4/c10-9-3-5-12-13(9)7-8-2-1-4-11-6-8/h1-6H,7,10H2
InChIKeyPXWHIPMNNBFUIO-UHFFFAOYSA-N
XLogP0.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 118365737
2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 126857261
5-methyl-2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 3161320
6-amino-2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 116788200
3-ethylpyridine
CID 10823
3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine
CID 19361574
methyl 4-[[5-amino-1-(pyridin-3-ylmethyl)pyrazol-4-yl]diazenyl]benzoate
CID 137001122
2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine
CID 83230356
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
2-(naphthalen-1-ylmethyl)pyrazol-3-amine
CID 12597365
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)pyrazol-3-amine?
The IUPAC name of 2-(pyridin-3-ylmethyl)pyrazol-3-amine (CID 1096899) is 2-(pyridin-3-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-(pyridin-3-ylmethyl)pyrazol-3-amine is Nc1ccnn1Cc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethyl)pyrazol-3-amine?
The InChIKey is PXWHIPMNNBFUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-9-3-5-12-13(9)7-8-2-1-4-11-6-8/h1-6H,7,10H2.
What are the key properties of 2-(pyridin-3-ylmethyl)pyrazol-3-amine?
2-(pyridin-3-ylmethyl)pyrazol-3-amine has a molecular weight of 174.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 1096899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).