N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine

C16H21Cl2N3 — CID 114647057

IUPACN-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)c1c(Cl)cnn1CC
InChIInChI=1S/C16H21Cl2N3/c1-3-8-19-15(10-12-6-5-7-13(17)9-12)16-14(18)11-20-21(16)4-2/h5-7,9,11,15,19H,3-4,8,10H2,1-2H3
InChIKeyRKSRNORHANOLMK-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.49
Rot. Bonds7

About N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine

N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine (PubChem CID 114647057) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
PubChem CID114647057
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC NameN-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)c1c(Cl)cnn1CC
InChIInChI=1S/C16H21Cl2N3/c1-3-8-19-15(10-12-6-5-7-13(17)9-12)16-14(18)11-20-21(16)4-2/h5-7,9,11,15,19H,3-4,8,10H2,1-2H3
InChIKeyRKSRNORHANOLMK-UHFFFAOYSA-N
XLogP4.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
CID 114647095
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114648961
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 114653517
N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine
CID 103444831
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
CID 114647090
N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 114660901
1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxy-N-propylbutan-1-amine
CID 114660418
N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 106687887
1-(4-chloro-1-ethylpyrazol-5-yl)-3-propoxy-N-propylpropan-1-amine
CID 105183176
N-[2-(3-chlorophenyl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818258
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine (CID 114647057) is N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1)c1c(Cl)cnn1CC.
What is the InChIKey of N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine?
The InChIKey is RKSRNORHANOLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-3-8-19-15(10-12-6-5-7-13(17)9-12)16-14(18)11-20-21(16)4-2/h5-7,9,11,15,19H,3-4,8,10H2,1-2H3.
What are the key properties of N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine?
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine has a molecular weight of 326.27 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 114647057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).