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

C18H25N3 — CID 65430604

IUPACN-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine
SMILESCC(C)n1ccc(CC(CNC2CC2)c2ccccc2)n1
InChIInChI=1S/C18H25N3/c1-14(2)21-11-10-18(20-21)12-16(13-19-17-8-9-17)15-6-4-3-5-7-15/h3-7,10-11,14,16-17,19H,8-9,12-13H2,1-2H3
InChIKeyPEEHYBWEQGMXRM-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.54
Rot. Bonds7

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

N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine (PubChem CID 65430604) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine
PubChem CID65430604
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine
SMILESCC(C)n1ccc(CC(CNC2CC2)c2ccccc2)n1
InChIInChI=1S/C18H25N3/c1-14(2)21-11-10-18(20-21)12-16(13-19-17-8-9-17)15-6-4-3-5-7-15/h3-7,10-11,14,16-17,19H,8-9,12-13H2,1-2H3
InChIKeyPEEHYBWEQGMXRM-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517
N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
CID 64773206
N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82871056
2-(4-bromophenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79441726
4-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771439
N-[3-(4-ethylphenyl)-2-phenylpropyl]cyclopropanamine
CID 65430983
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528
2-(3-bromophenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79443065
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine (CID 65430604) is N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine is CC(C)n1ccc(CC(CNC2CC2)c2ccccc2)n1.
What is the InChIKey of N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine?
The InChIKey is PEEHYBWEQGMXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)21-11-10-18(20-21)12-16(13-19-17-8-9-17)15-6-4-3-5-7-15/h3-7,10-11,14,16-17,19H,8-9,12-13H2,1-2H3.
What are the key properties of N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine?
N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine has a molecular weight of 283.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 65430604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).