N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride

C15H24Cl2N4 — CID 126966578

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride
SMILESCC(C)n1nccc1NCc1ccc(N(C)C)cc1.Cl.Cl
InChIInChI=1S/C15H22N4.2ClH/c1-12(2)19-15(9-10-17-19)16-11-13-5-7-14(8-6-13)18(3)4;;/h5-10,12,16H,11H2,1-4H3;2*1H
InChIKeyNZMSMPGEGPWEDM-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.99
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride

N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride (PubChem CID 126966578) has the molecular formula C15H24Cl2N4 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride
PubChem CID126966578
Molecular FormulaC15H24Cl2N4
Molecular Weight331.29 g/mol
Exact Mass330.14
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride
SMILESCC(C)n1nccc1NCc1ccc(N(C)C)cc1.Cl.Cl
InChIInChI=1S/C15H22N4.2ClH/c1-12(2)19-15(9-10-17-19)16-11-13-5-7-14(8-6-13)18(3)4;;/h5-10,12,16H,11H2,1-4H3;2*1H
InChIKeyNZMSMPGEGPWEDM-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline
CID 122168246
N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
CID 122166808
2-[[(2-propan-2-ylpyrazol-3-yl)amino]methyl]phenol
CID 122168791
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167409
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 124932342
2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
CID 97086095
1-(2,2-difluoroethyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrazol-4-amine;dihydrochloride
CID 126964211
2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606209
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167177
N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride
CID 126966596
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167928
N,N-dimethyl-4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]aniline;dihydrochloride
CID 126968221

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride (CID 126966578) is N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride is CC(C)n1nccc1NCc1ccc(N(C)C)cc1.Cl.Cl.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride?
The InChIKey is NZMSMPGEGPWEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.2ClH/c1-12(2)19-15(9-10-17-19)16-11-13-5-7-14(8-6-13)18(3)4;;/h5-10,12,16H,11H2,1-4H3;2*1H.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride?
N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.99, 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]-2-propan-2-ylpyrazol-3-amine;dihydrochloride is sourced from PubChem (CID 126966578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).