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

C17H22BrN3 — CID 82869744

IUPACN-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
SMILESCn1ccc(CC(CNC2CC2)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C17H22BrN3/c1-21-9-8-17(20-21)11-14(12-19-16-6-7-16)10-13-2-4-15(18)5-3-13/h2-5,8-9,14,16,19H,6-7,10-12H2,1H3
InChIKeyUZIFMQISJGTEGO-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.34
Rot. Bonds7

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

N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine (PubChem CID 82869744) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
PubChem CID82869744
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC NameN-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
SMILESCn1ccc(CC(CNC2CC2)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C17H22BrN3/c1-21-9-8-17(20-21)11-14(12-19-16-6-7-16)10-13-2-4-15(18)5-3-13/h2-5,8-9,14,16,19H,6-7,10-12H2,1H3
InChIKeyUZIFMQISJGTEGO-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
CID 82882697
N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82871056
N-[2-[(3-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053018
N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62515921
N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine
CID 106930639
N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine
CID 82870614
N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
CID 64773206
N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine
CID 104819277
1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876754
N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 64777118
2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877755
N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine (CID 82869744) is N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine is Cn1ccc(CC(CNC2CC2)Cc2ccc(Br)cc2)n1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine?
The InChIKey is UZIFMQISJGTEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-21-9-8-17(20-21)11-14(12-19-16-6-7-16)10-13-2-4-15(18)5-3-13/h2-5,8-9,14,16,19H,6-7,10-12H2,1H3.
What are the key properties of N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine?
N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine has a molecular weight of 348.29 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 82869744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).