N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine

C17H24ClN3 — CID 105041822

IUPACN-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1CC)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C17H24ClN3/c1-5-13-9-7-8-10-14(13)16(19-6-2)17-15(18)11-20-21(17)12(3)4/h7-12,16,19H,5-6H2,1-4H3
InChIKeyYIUGBOPONMQTJP-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.38
Rot. Bonds6

About N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine

N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine (PubChem CID 105041822) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine
PubChem CID105041822
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1CC)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C17H24ClN3/c1-5-13-9-7-8-10-14(13)16(19-6-2)17-15(18)11-20-21(17)12(3)4/h7-12,16,19H,5-6H2,1-4H3
InChIKeyYIUGBOPONMQTJP-UHFFFAOYSA-N
XLogP4.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 105041624
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 105041732
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 114658411
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 105041814
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 114659073
N-[(4-bromo-2-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105041578
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine
CID 105336809
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
CID 114660608
2-(2-chlorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 114649031
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol
CID 114645350
N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine
CID 105396813
N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857601

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine (CID 105041822) is N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine is CCNC(c1ccccc1CC)c1c(Cl)cnn1C(C)C.
What is the InChIKey of N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine?
The InChIKey is YIUGBOPONMQTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-5-13-9-7-8-10-14(13)16(19-6-2)17-15(18)11-20-21(17)12(3)4/h7-12,16,19H,5-6H2,1-4H3.
What are the key properties of N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine?
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine has a molecular weight of 305.85 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 105041822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).