N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine

C20H25N5 — CID 77091426

IUPACN-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(-n2cc(CN(Cc3nccn3C)C3CC3)cn2)cc1C
InChIInChI=1S/C20H25N5/c1-15-4-5-19(10-16(15)2)25-13-17(11-22-25)12-24(18-6-7-18)14-20-21-8-9-23(20)3/h4-5,8-11,13,18H,6-7,12,14H2,1-3H3
InChIKeyBJLZUJLCFBXQAH-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.39
Rot. Bonds6

About N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine

N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine (PubChem CID 77091426) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
PubChem CID77091426
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC NameN-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(-n2cc(CN(Cc3nccn3C)C3CC3)cn2)cc1C
InChIInChI=1S/C20H25N5/c1-15-4-5-19(10-16(15)2)25-13-17(11-22-25)12-24(18-6-7-18)14-20-21-8-9-23(20)3/h4-5,8-11,13,18H,6-7,12,14H2,1-3H3
InChIKeyBJLZUJLCFBXQAH-UHFFFAOYSA-N
XLogP3.39
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 77092489
N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine
CID 122158285
4-[[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]methyl]aniline
CID 114528265
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 91841422
1-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 50961421
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 56705149
1-(3,4-dimethylphenyl)-4-methylpyrazole
CID 148851288
2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 131928849
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 77093844
2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531207
N-[(1-methylimidazol-2-yl)methyl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]cyclopropanamine
CID 91834125

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine (CID 77091426) is N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine is Cc1ccc(-n2cc(CN(Cc3nccn3C)C3CC3)cn2)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
The InChIKey is BJLZUJLCFBXQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-15-4-5-19(10-16(15)2)25-13-17(11-22-25)12-24(18-6-7-18)14-20-21-8-9-23(20)3/h4-5,8-11,13,18H,6-7,12,14H2,1-3H3.
What are the key properties of N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?
N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine has a molecular weight of 335.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 77091426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).