2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine

C23H26N6 — CID 119122477

IUPAC2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCc1nccn1CC(C)CNCc1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C23H26N6/c1-18(16-28-12-11-26-19(28)2)13-25-15-21-17-29(22-8-4-3-5-9-22)27-23(21)20-7-6-10-24-14-20/h3-12,14,17-18,25H,13,15-16H2,1-2H3
InChIKeyDHQHTHADIBEICC-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.87
Rot. Bonds8

About 2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine

2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 119122477) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID119122477
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCc1nccn1CC(C)CNCc1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C23H26N6/c1-18(16-28-12-11-26-19(28)2)13-25-15-21-17-29(22-8-4-3-5-9-22)27-23(21)20-7-6-10-24-14-20/h3-12,14,17-18,25H,13,15-16H2,1-2H3
InChIKeyDHQHTHADIBEICC-UHFFFAOYSA-N
XLogP3.87
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol
CID 17445531
2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 47619081
2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 119122355
2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 119122377
(2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 30961231
N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide
CID 154835621
4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962279
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122490
2-methyl-3-(2-methylimidazol-1-yl)-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119122449
3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
CID 119109389
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122574
2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
CID 110905987

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine (CID 119122477) is 2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine is Cc1nccn1CC(C)CNCc1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is DHQHTHADIBEICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-18(16-28-12-11-26-19(28)2)13-25-15-21-17-29(22-8-4-3-5-9-22)27-23(21)20-7-6-10-24-14-20/h3-12,14,17-18,25H,13,15-16H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine?
2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 386.50 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 119122477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).