N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine

C10H13F2N5O — CID 122167232

IUPACN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine
SMILESCOc1nn(C)cc1NCc1ccnn1C(F)F
InChIInChI=1S/C10H13F2N5O/c1-16-6-8(9(15-16)18-2)13-5-7-3-4-14-17(7)10(11)12/h3-4,6,10,13H,5H2,1-2H3
InChIKeyVLSWEEBWPOMJOF-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.63
Rot. Bonds5

About N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine (PubChem CID 122167232) has the molecular formula C10H13F2N5O and a molecular weight of 257.24 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine
PubChem CID122167232
Molecular FormulaC10H13F2N5O
Molecular Weight257.24 g/mol
Exact Mass257.11
IUPAC NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine
SMILESCOc1nn(C)cc1NCc1ccnn1C(F)F
InChIInChI=1S/C10H13F2N5O/c1-16-6-8(9(15-16)18-2)13-5-7-3-4-14-17(7)10(11)12/h3-4,6,10,13H,5H2,1-2H3
InChIKeyVLSWEEBWPOMJOF-UHFFFAOYSA-N
XLogP1.63
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrazol-4-amine
CID 117989217
N-{[1-(2,2-difluoroethyl)-1H-pyrazol-4-yl]methyl}-3-methoxy-1-methyl-1H-pyrazol-4-amine
CID 122167692
N-{[1-(2,2-difluoroethyl)-5-methyl-1H-pyrazol-4-yl]methyl}-3-methoxy-1-methyl-1H-pyrazol-4-amine
CID 122167800
3-methoxy-1-methyl-N-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl}-1H-pyrazol-4-amine
CID 122167821
3-Methoxy-1-methyl-n-{[1-(2,2,2-trifluoroethyl)-1h-pyrazol-4-yl]methyl}-1h-pyrazol-4-amine
CID 122167862
3-methoxy-1-methyl-N-{[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-1H-pyrazol-4-amine
CID 122167897
3-methoxy-1-methyl-N-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-1H-pyrazol-4-amine
CID 122167934
N-[(5-fluoro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-methoxy-1-methyl-1H-pyrazol-4-amine
CID 122169146
N-[(1-ethyl-5-fluoro-3-methyl-1H-pyrazol-4-yl)methyl]-3-methoxy-1-methyl-1H-pyrazol-4-amine
CID 122169276
3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964248
3-methoxy-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964898
3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126965572

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine?
The IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine (CID 122167232) is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine?
The canonical SMILES for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine is COc1nn(C)cc1NCc1ccnn1C(F)F.
What is the InChIKey of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine?
The InChIKey is VLSWEEBWPOMJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5O/c1-16-6-8(9(15-16)18-2)13-5-7-3-4-14-17(7)10(11)12/h3-4,6,10,13H,5H2,1-2H3.
What are the key properties of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine?
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine has a molecular weight of 257.24 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine is sourced from PubChem (CID 122167232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).