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

C20H27N5 — CID 42515172

IUPACN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
SMILESCc1ccc(-c2[nH]ncc2CN(Cc2nccn2C)C(C)C)cc1C
InChIInChI=1S/C20H27N5/c1-14(2)25(13-19-21-8-9-24(19)5)12-18-11-22-23-20(18)17-7-6-15(3)16(4)10-17/h6-11,14H,12-13H2,1-5H3,(H,22,23)
InChIKeyJWCMYUXFLZRZTH-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.84
Rot. Bonds6

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

N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine (PubChem CID 42515172) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
PubChem CID42515172
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
SMILESCc1ccc(-c2[nH]ncc2CN(Cc2nccn2C)C(C)C)cc1C
InChIInChI=1S/C20H27N5/c1-14(2)25(13-19-21-8-9-24(19)5)12-18-11-22-23-20(18)17-7-6-15(3)16(4)10-17/h6-11,14H,12-13H2,1-5H3,(H,22,23)
InChIKeyJWCMYUXFLZRZTH-UHFFFAOYSA-N
XLogP3.84
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine (CID 42515172) is N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine is Cc1ccc(-c2[nH]ncc2CN(Cc2nccn2C)C(C)C)cc1C.
What is the InChIKey of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is JWCMYUXFLZRZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-14(2)25(13-19-21-8-9-24(19)5)12-18-11-22-23-20(18)17-7-6-15(3)16(4)10-17/h6-11,14H,12-13H2,1-5H3,(H,22,23).
What are the key properties of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 337.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 42515172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).