N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine

C11H16FN5O — CID 122169146

IUPACN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine
SMILESCOc1nn(C)cc1NCc1c(C)nn(C)c1F
InChIInChI=1S/C11H16FN5O/c1-7-8(10(12)17(3)14-7)5-13-9-6-16(2)15-11(9)18-4/h6,13H,5H2,1-4H3
InChIKeyBEMWDCQYGUWXHH-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.22
Rot. Bonds4

About N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine (PubChem CID 122169146) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine
PubChem CID122169146
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine
SMILESCOc1nn(C)cc1NCc1c(C)nn(C)c1F
InChIInChI=1S/C11H16FN5O/c1-7-8(10(12)17(3)14-7)5-13-9-6-16(2)15-11(9)18-4/h6,13H,5H2,1-4H3
InChIKeyBEMWDCQYGUWXHH-UHFFFAOYSA-N
XLogP1.22
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[1-(difluoromethyl)-1H-pyrazol-5-yl]methyl}-3-methoxy-1-methyl-1H-pyrazol-4-amine
CID 122167232
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-[(1-ethyl-5-fluoro-1H-pyrazol-4-yl)methyl]-3-methoxy-1-methyl-1H-pyrazol-4-amine
CID 122169211
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-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine?
The IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine (CID 122169146) is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine is COc1nn(C)cc1NCc1c(C)nn(C)c1F.
What is the InChIKey of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine?
The InChIKey is BEMWDCQYGUWXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O/c1-7-8(10(12)17(3)14-7)5-13-9-6-16(2)15-11(9)18-4/h6,13H,5H2,1-4H3.
What are the key properties of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine?
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine has a molecular weight of 253.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine is sourced from PubChem (CID 122169146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).