5-methoxy-N-methyl-1H-pyrazol-4-amine

C5H9N3O — CID 135128797

IUPAC5-methoxy-N-methyl-1H-pyrazol-4-amine
SMILESCNc1cn[nH]c1OC
InChIInChI=1S/C5H9N3O/c1-6-4-3-7-8-5(4)9-2/h3,6H,1-2H3,(H,7,8)
InChIKeyGNQFOCJKNFEOOT-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.46
Rot. Bonds2

About 5-methoxy-N-methyl-1H-pyrazol-4-amine

5-methoxy-N-methyl-1H-pyrazol-4-amine (PubChem CID 135128797) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1H-pyrazol-4-amine
PubChem CID135128797
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-methoxy-N-methyl-1H-pyrazol-4-amine
SMILESCNc1cn[nH]c1OC
InChIInChI=1S/C5H9N3O/c1-6-4-3-7-8-5(4)9-2/h3,6H,1-2H3,(H,7,8)
InChIKeyGNQFOCJKNFEOOT-UHFFFAOYSA-N
XLogP0.46
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1H-pyrazol-4-amine;hydrochloride
CID 170912625
1,4,5,6-Tetrahydropyrazolo[5,4-b][1,4]oxazine
CID 59574269
5-prop-2-enoxy-1H-pyrazol-4-amine
CID 70521570
5-Methoxy-1-methyl-1H-pyrazol-4-amine
CID 82593695
3-methoxy-1H-pyrazol-4-amine
CID 84647683
(4-amino-1H-pyrazol-5-yl) formate
CID 90962867
5-ethoxy-1H-pyrazol-4-amine
CID 126543963
N-(5-propoxy-1H-pyrazol-4-yl)formamide
CID 132182928
4-isocyano-5-methoxy-1H-pyrazole
CID 153423123
N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide
CID 155479853
5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride
CID 156901782
3-methoxy-N,1-dimethylpyrazol-4-amine
CID 170177873

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1H-pyrazol-4-amine?
The IUPAC name of 5-methoxy-N-methyl-1H-pyrazol-4-amine (CID 135128797) is 5-methoxy-N-methyl-1H-pyrazol-4-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1H-pyrazol-4-amine?
The canonical SMILES for 5-methoxy-N-methyl-1H-pyrazol-4-amine is CNc1cn[nH]c1OC.
What is the InChIKey of 5-methoxy-N-methyl-1H-pyrazol-4-amine?
The InChIKey is GNQFOCJKNFEOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-6-4-3-7-8-5(4)9-2/h3,6H,1-2H3,(H,7,8).
What are the key properties of 5-methoxy-N-methyl-1H-pyrazol-4-amine?
5-methoxy-N-methyl-1H-pyrazol-4-amine has a molecular weight of 127.15 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1H-pyrazol-4-amine is sourced from PubChem (CID 135128797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).