N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine

C12H17N5O — CID 39741239

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
SMILESCOCc1cc(CNc2nc(C)cnc2C)[nH]n1
InChIInChI=1S/C12H17N5O/c1-8-5-13-9(2)12(15-8)14-6-10-4-11(7-18-3)17-16-10/h4-5H,6-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyRFHBNHHIDPLXAT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.58
Rot. Bonds5

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 39741239) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
PubChem CID39741239
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
SMILESCOCc1cc(CNc2nc(C)cnc2C)[nH]n1
InChIInChI=1S/C12H17N5O/c1-8-5-13-9(2)12(15-8)14-6-10-4-11(7-18-3)17-16-10/h4-5H,6-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyRFHBNHHIDPLXAT-UHFFFAOYSA-N
XLogP1.58
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 72922967
5-(1-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-1H-1,2,3-triazol-4-yl)pyrimidine
CID 72847615
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine
CID 50959698
4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 50973199
4-(1H-imidazol-2-yl)-1-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-1H-1,2,3-triazole
CID 72858103
1-(5-Ethyl-2-methylpyrimidin-4-YL)-N-{[5-(methoxymethyl)-1H-pyrazol-3-YL]methyl}piperidin-4-amine
CID 72915073
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72937346
N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 167201408
N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 167201445
N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine
CID 175627694
5-fluoro-4-methoxy-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}pyrimidin-2-amine
CID 135090034
5-fluoro-N~2~-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 135102138

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine (CID 39741239) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine is COCc1cc(CNc2nc(C)cnc2C)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is RFHBNHHIDPLXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-5-13-9(2)12(15-8)14-6-10-4-11(7-18-3)17-16-10/h4-5H,6-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 39741239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).