N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride

C15H24Cl2N4 — CID 126966596

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride
SMILESCCn1ncc(NCc2ccc(N(C)C)cc2)c1C.Cl.Cl
InChIInChI=1S/C15H22N4.2ClH/c1-5-19-12(2)15(11-17-19)16-10-13-6-8-14(9-7-13)18(3)4;;/h6-9,11,16H,5,10H2,1-4H3;2*1H
InChIKeyKDSFPNWFBBDYJD-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.73
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride

N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride (PubChem CID 126966596) has the molecular formula C15H24Cl2N4 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride
PubChem CID126966596
Molecular FormulaC15H24Cl2N4
Molecular Weight331.29 g/mol
Exact Mass330.14
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride
SMILESCCn1ncc(NCc2ccc(N(C)C)cc2)c1C.Cl.Cl
InChIInChI=1S/C15H22N4.2ClH/c1-5-19-12(2)15(11-17-19)16-10-13-6-8-14(9-7-13)18(3)4;;/h6-9,11,16H,5,10H2,1-4H3;2*1H
InChIKeyKDSFPNWFBBDYJD-UHFFFAOYSA-N
XLogP3.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride
CID 126964810
3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
CID 122168784
1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine
CID 122167136
1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166967
4-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 122168604
N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine
CID 122168522
6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine
CID 104600047
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxy-1-methylpyrazol-4-amine;dihydrochloride
CID 126965086
1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227
N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride
CID 126966578
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 107630152
N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline
CID 43687256

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride (CID 126966596) is N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride is CCn1ncc(NCc2ccc(N(C)C)cc2)c1C.Cl.Cl.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride?
The InChIKey is KDSFPNWFBBDYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.2ClH/c1-5-19-12(2)15(11-17-19)16-10-13-6-8-14(9-7-13)18(3)4;;/h6-9,11,16H,5,10H2,1-4H3;2*1H.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride?
N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 126966596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).