3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride

C12H20ClN5O — CID 126968235

IUPAC3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCOc1nn(C)cc1NCc1ccnn1C(C)C.Cl
InChIInChI=1S/C12H19N5O.ClH/c1-9(2)17-10(5-6-14-17)7-13-11-8-16(3)15-12(11)18-4;/h5-6,8-9,13H,7H2,1-4H3;1H
InChIKeyGNFZXJRRCIJRDZ-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.24
Rot. Bonds5

About 3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride

3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 126968235) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID126968235
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCOc1nn(C)cc1NCc1ccnn1C(C)C.Cl
InChIInChI=1S/C12H19N5O.ClH/c1-9(2)17-10(5-6-14-17)7-13-11-8-16(3)15-12(11)18-4;/h5-6,8-9,13H,7H2,1-4H3;1H
InChIKeyGNFZXJRRCIJRDZ-UHFFFAOYSA-N
XLogP2.24
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126966130
1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122167062
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine
CID 122167215
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126968269
1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126967946
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126967836
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride
CID 126965086
2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122167078
2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 43721974
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-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167934
1-(1-methylpyrrol-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965371

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride (CID 126968235) is 3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride is COc1nn(C)cc1NCc1ccnn1C(C)C.Cl.
What is the InChIKey of 3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is GNFZXJRRCIJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O.ClH/c1-9(2)17-10(5-6-14-17)7-13-11-8-16(3)15-12(11)18-4;/h5-6,8-9,13H,7H2,1-4H3;1H.
What are the key properties of 3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride?
3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126968235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).