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

C11H18ClN5O — CID 126967836

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
SMILESCOc1nn(C)cc1NCc1cnn(C)c1C.Cl
InChIInChI=1S/C11H17N5O.ClH/c1-8-9(6-13-16(8)3)5-12-10-7-15(2)14-11(10)17-4;/h6-7,12H,5H2,1-4H3;1H
InChIKeyKJRAZOMMQZAUCS-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.50
Rot. Bonds4

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride (PubChem CID 126967836) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
PubChem CID126967836
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
SMILESCOc1nn(C)cc1NCc1cnn(C)c1C.Cl
InChIInChI=1S/C11H17N5O.ClH/c1-8-9(6-13-16(8)3)5-12-10-7-15(2)14-11(10)17-4;/h6-7,12H,5H2,1-4H3;1H
InChIKeyKJRAZOMMQZAUCS-UHFFFAOYSA-N
XLogP1.50
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 135115910
3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167934
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103858301
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 171156653
N-(furan-2-ylmethyl)-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126966130
3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964248
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride
CID 126965086
3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126968235
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine
CID 106048244
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline
CID 79578562
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 114140206

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride (CID 126967836) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride is COc1nn(C)cc1NCc1cnn(C)c1C.Cl.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride?
The InChIKey is KJRAZOMMQZAUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O.ClH/c1-8-9(6-13-16(8)3)5-12-10-7-15(2)14-11(10)17-4;/h6-7,12H,5H2,1-4H3;1H.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126967836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).