N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline

C17H26N4 — CID 105154928

IUPACN,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline
SMILESCNC(Cc1ccn(C(C)C)n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H26N4/c1-13(2)21-11-10-15(19-21)12-17(18-3)14-6-8-16(9-7-14)20(4)5/h6-11,13,17-18H,12H2,1-5H3
InChIKeyPDNHGDJIFZEPAD-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.03
Rot. Bonds6

About N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline

N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline (PubChem CID 105154928) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline
PubChem CID105154928
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline
SMILESCNC(Cc1ccn(C(C)C)n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H26N4/c1-13(2)21-11-10-15(19-21)12-17(18-3)14-6-8-16(9-7-14)20(4)5/h6-11,13,17-18H,12H2,1-5H3
InChIKeyPDNHGDJIFZEPAD-UHFFFAOYSA-N
XLogP3.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.03
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

1-(4-bromophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771366
N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine
CID 64770856
N,N-dimethyl-4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline
CID 122168247
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200899
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
1-(2,6-difluorophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79522561
1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785500
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79712344
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 114886218
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154961
1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876754
1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154934

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline (CID 105154928) is N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline is CNC(Cc1ccn(C(C)C)n1)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline?
The InChIKey is PDNHGDJIFZEPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13(2)21-11-10-15(19-21)12-17(18-3)14-6-8-16(9-7-14)20(4)5/h6-11,13,17-18H,12H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline?
N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline has a molecular weight of 286.42 g/mol, XLogP of 3.03, 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-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 105154928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).