N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine

C17H22ClN3 — CID 114854922

IUPACN-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCc1cc(CC)n(-c2ccc(Cl)cc2CNC2CC2)n1
InChIInChI=1S/C17H22ClN3/c1-3-14-10-16(4-2)21(20-14)17-8-5-13(18)9-12(17)11-19-15-6-7-15/h5,8-10,15,19H,3-4,6-7,11H2,1-2H3
InChIKeyZNOLOYYATDJWIL-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.90
Rot. Bonds6

About N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 114854922) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID114854922
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCc1cc(CC)n(-c2ccc(Cl)cc2CNC2CC2)n1
InChIInChI=1S/C17H22ClN3/c1-3-14-10-16(4-2)21(20-14)17-8-5-13(18)9-12(17)11-19-15-6-7-15/h5,8-10,15,19H,3-4,6-7,11H2,1-2H3
InChIKeyZNOLOYYATDJWIL-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 82694815
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862591
N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 82699289
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 114854126
N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114851124
N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 114854449
N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 103050367
N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine
CID 79723423
N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 114851315
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 114854747
1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 114854944

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine (CID 114854922) is N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine is CCc1cc(CC)n(-c2ccc(Cl)cc2CNC2CC2)n1.
What is the InChIKey of N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is ZNOLOYYATDJWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-14-10-16(4-2)21(20-14)17-8-5-13(18)9-12(17)11-19-15-6-7-15/h5,8-10,15,19H,3-4,6-7,11H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 303.84 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114854922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).