N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride

C14H22Cl2N4O — CID 126965086

IUPACN-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride
SMILESCOc1nn(C)cc1NCc1ccc(N(C)C)cc1.Cl.Cl
InChIInChI=1S/C14H20N4O.2ClH/c1-17(2)12-7-5-11(6-8-12)9-15-13-10-18(3)16-14(13)19-4;;/h5-8,10,15H,9H2,1-4H3;2*1H
InChIKeyMJTIFVNTFXVRNG-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.95
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride

N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride (PubChem CID 126965086) has the molecular formula C14H22Cl2N4O and a molecular weight of 333.26 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride
PubChem CID126965086
Molecular FormulaC14H22Cl2N4O
Molecular Weight333.26 g/mol
Exact Mass332.12
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride
SMILESCOc1nn(C)cc1NCc1ccc(N(C)C)cc1.Cl.Cl
InChIInChI=1S/C14H20N4O.2ClH/c1-17(2)12-7-5-11(6-8-12)9-15-13-10-18(3)16-14(13)19-4;;/h5-8,10,15H,9H2,1-4H3;2*1H
InChIKeyMJTIFVNTFXVRNG-UHFFFAOYSA-N
XLogP2.95
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126967836
3-methoxy-1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126968235
3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167934
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride
CID 126966596
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092143
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866875
4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 5209751
N-[[4-(dimethylamino)phenyl]methyl]-6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221391

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride (CID 126965086) is N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride is COc1nn(C)cc1NCc1ccc(N(C)C)cc1.Cl.Cl.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride?
The InChIKey is MJTIFVNTFXVRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.2ClH/c1-17(2)12-7-5-11(6-8-12)9-15-13-10-18(3)16-14(13)19-4;;/h5-8,10,15H,9H2,1-4H3;2*1H.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride?
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 126965086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).