2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C13H21N5 — CID 119122377

IUPAC2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1[nH]ncc1CNCC(C)Cn1ccnc1C
InChIInChI=1S/C13H21N5/c1-10(9-18-5-4-15-12(18)3)6-14-7-13-8-16-17-11(13)2/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyIDNPKIPLWQGLFE-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.65
Rot. Bonds6

About 2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine

2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 119122377) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID119122377
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1[nH]ncc1CNCC(C)Cn1ccnc1C
InChIInChI=1S/C13H21N5/c1-10(9-18-5-4-15-12(18)3)6-14-7-13-8-16-17-11(13)2/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyIDNPKIPLWQGLFE-UHFFFAOYSA-N
XLogP1.65
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122506
2-methyl-3-(2-methylimidazol-1-yl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 119122493
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122490
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 61004070
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122482
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122572
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122339
2-methyl-3-(2-methylimidazol-1-yl)-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119122449
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122465
2-methyl-3-(2-methylimidazol-1-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 119122577
2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 78966816
N-[(1-methylimidazol-2-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 62350133

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 119122377) is 2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine is Cc1[nH]ncc1CNCC(C)Cn1ccnc1C.
What is the InChIKey of 2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is IDNPKIPLWQGLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10(9-18-5-4-15-12(18)3)6-14-7-13-8-16-17-11(13)2/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 247.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 119122377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).