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

C17H23N3 — CID 66023313

IUPACN-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
SMILESCc1nn(C(C)C)cc1-c1ccccc1CNC1CC1
InChIInChI=1S/C17H23N3/c1-12(2)20-11-17(13(3)19-20)16-7-5-4-6-14(16)10-18-15-8-9-15/h4-7,11-12,15,18H,8-10H2,1-3H3
InChIKeyNCULSQNGPVWEII-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.69
Rot. Bonds5

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

N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine (PubChem CID 66023313) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
PubChem CID66023313
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
SMILESCc1nn(C(C)C)cc1-c1ccccc1CNC1CC1
InChIInChI=1S/C17H23N3/c1-12(2)20-11-17(13(3)19-20)16-7-5-4-6-14(16)10-18-15-8-9-15/h4-7,11-12,15,18H,8-10H2,1-3H3
InChIKeyNCULSQNGPVWEII-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888899
N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 105410060
N-[[1-methyl-3-(2-methylphenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79485385
N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 115484384
N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine
CID 63424961
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476
N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350078
N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 62801536
N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79485221
N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034453
N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 115503138
2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 107627200

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine (CID 66023313) is N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine is Cc1nn(C(C)C)cc1-c1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is NCULSQNGPVWEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)20-11-17(13(3)19-20)16-7-5-4-6-14(16)10-18-15-8-9-15/h4-7,11-12,15,18H,8-10H2,1-3H3.
What are the key properties of N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 269.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66023313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).