N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine

C14H15N5 — CID 104729869

IUPACN-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESNCc1cccc(CNc2nccn3nccc23)c1
InChIInChI=1S/C14H15N5/c15-9-11-2-1-3-12(8-11)10-17-14-13-4-5-18-19(13)7-6-16-14/h1-8H,9-10,15H2,(H,16,17)
InChIKeyNHYTYTSBMONUEC-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.80
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine

N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104729869) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104729869
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESNCc1cccc(CNc2nccn3nccc23)c1
InChIInChI=1S/C14H15N5/c15-9-11-2-1-3-12(8-11)10-17-14-13-4-5-18-19(13)7-6-16-14/h1-8H,9-10,15H2,(H,16,17)
InChIKeyNHYTYTSBMONUEC-UHFFFAOYSA-N
XLogP1.80
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N-cyclopropyl-4-pyrazolo(1,5-b)pyridazin-3-ylpyrimidin-2-amine
CID 6918710
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
Pyrazolo[1,5-b]pyridazine deriv. 16
CID 6539359
3-(1-Pyridin-2-yl-1H-pyrazol-3-yl)-benzonitrile
CID 10236192
N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 25263282
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
7-(1-Benzyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 73777037
2-(1h-Pyrazol-4-Yl)-7-(Pyridin-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90104994

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 104729869) is N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine is NCc1cccc(CNc2nccn3nccc23)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is NHYTYTSBMONUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-9-11-2-1-3-12(8-11)10-17-14-13-4-5-18-19(13)7-6-16-14/h1-8H,9-10,15H2,(H,16,17).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine?
N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104729869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).