N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline

C16H24N4 — CID 122168246

IUPACN,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline
SMILESCC(C)n1nccc1CNCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H24N4/c1-13(2)20-16(9-10-18-20)12-17-11-14-5-7-15(8-6-14)19(3)4/h5-10,13,17H,11-12H2,1-4H3
InChIKeyQGUHDRUCMSOPHC-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.82
Rot. Bonds6

About N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline

N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline (PubChem CID 122168246) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline
PubChem CID122168246
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline
SMILESCC(C)n1nccc1CNCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H24N4/c1-13(2)20-16(9-10-18-20)12-17-11-14-5-7-15(8-6-14)19(3)4/h5-10,13,17H,11-12H2,1-4H3
InChIKeyQGUHDRUCMSOPHC-UHFFFAOYSA-N
XLogP2.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride
CID 126966578
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol
CID 122165994
1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126964707
1-(1-methylpyrrol-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965371
N,N-dimethyl-4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline
CID 122168247
N-[(2-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine;hydrochloride
CID 126967489
N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126967579
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 124932358
N,N-dimethyl-4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]aniline;dihydrochloride
CID 126968221
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126968269
4-[(2-propan-2-ylpyrazol-3-yl)methylamino]butanoic acid
CID 170356656

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline (CID 122168246) is N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline is CC(C)n1nccc1CNCc1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline?
The InChIKey is QGUHDRUCMSOPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13(2)20-16(9-10-18-20)12-17-11-14-5-7-15(8-6-14)19(3)4/h5-10,13,17H,11-12H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline?
N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline has a molecular weight of 272.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline is sourced from PubChem (CID 122168246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).