N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine

C16H20ClN3 — CID 82871056

IUPACN-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
SMILESCn1ccc(CC(CNC2CC2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN3/c1-20-9-8-16(19-20)10-13(11-18-15-6-7-15)12-2-4-14(17)5-3-12/h2-5,8-9,13,15,18H,6-7,10-11H2,1H3
InChIKeyCDBBQXSMZPZYRT-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine

N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine (PubChem CID 82871056) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
PubChem CID82871056
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
SMILESCn1ccc(CC(CNC2CC2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN3/c1-20-9-8-16(19-20)10-13(11-18-15-6-7-15)12-2-4-14(17)5-3-12/h2-5,8-9,13,15,18H,6-7,10-11H2,1H3
InChIKeyCDBBQXSMZPZYRT-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine
CID 65430604
N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
CID 82882697
N-[2-(4-chlorophenyl)-3-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79431064
N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82869744
N-[2-(4-chlorophenyl)hexyl]cyclopropanamine
CID 79437438
N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053433
N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine
CID 82870614
N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 82870027
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82871414
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 82870491
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053
3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882566

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine (CID 82871056) is N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine is Cn1ccc(CC(CNC2CC2)c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine?
The InChIKey is CDBBQXSMZPZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-20-9-8-16(19-20)10-13(11-18-15-6-7-15)12-2-4-14(17)5-3-12/h2-5,8-9,13,15,18H,6-7,10-11H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine?
N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine has a molecular weight of 289.81 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 82871056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).