N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine

C18H25N3 — CID 105410060

IUPACN-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)cc1-c1cn(C(C)C)nc1C
InChIInChI=1S/C18H25N3/c1-12(2)21-11-18(14(4)20-21)17-9-15(6-5-13(17)3)10-19-16-7-8-16/h5-6,9,11-12,16,19H,7-8,10H2,1-4H3
InChIKeyZZWLFNNRDZQCJM-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.00
Rot. Bonds5

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

N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine (PubChem CID 105410060) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
PubChem CID105410060
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)cc1-c1cn(C(C)C)nc1C
InChIInChI=1S/C18H25N3/c1-12(2)21-11-18(14(4)20-21)17-9-15(6-5-13(17)3)10-19-16-7-8-16/h5-6,9,11-12,16,19H,7-8,10H2,1-4H3
InChIKeyZZWLFNNRDZQCJM-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66023313
N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888899
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66021448
N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62351103
N-[[3-(2-chloro-4,5-difluorophenyl)-4-methylphenyl]methyl]cyclopropanamine
CID 107476925
N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 81150635
N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 63943468
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[4-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 105406417
N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62123320
3-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-5-fluorobenzonitrile
CID 105409033

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine (CID 105410060) is N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine is Cc1ccc(CNC2CC2)cc1-c1cn(C(C)C)nc1C.
What is the InChIKey of N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is ZZWLFNNRDZQCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12(2)21-11-18(14(4)20-21)17-9-15(6-5-13(17)3)10-19-16-7-8-16/h5-6,9,11-12,16,19H,7-8,10H2,1-4H3.
What are the key properties of N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 283.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 105410060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).