5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline

C16H22ClN3 — CID 63449572

IUPAC5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline
SMILESCC(C)CCC(C)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C16H22ClN3/c1-12(2)5-6-13(3)19-15-11-14(17)7-8-16(15)20-10-4-9-18-20/h4,7-13,19H,5-6H2,1-3H3
InChIKeyUILQFMNMGOMQQA-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.76
Rot. Bonds6

About 5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline

5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline (PubChem CID 63449572) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline
PubChem CID63449572
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline
SMILESCC(C)CCC(C)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C16H22ClN3/c1-12(2)5-6-13(3)19-15-11-14(17)7-8-16(15)20-10-4-9-18-20/h4,7-13,19H,5-6H2,1-3H3
InChIKeyUILQFMNMGOMQQA-UHFFFAOYSA-N
XLogP4.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline
CID 54863788
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N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
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CID 43688218
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N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852915
(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
CID 61179959
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
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5-chloro-2-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43100580
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
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CID 103515148

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline?
The IUPAC name of 5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline (CID 63449572) is 5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline.
What is the SMILES notation for 5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline?
The canonical SMILES for 5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline is CC(C)CCC(C)Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of 5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline?
The InChIKey is UILQFMNMGOMQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-12(2)5-6-13(3)19-15-11-14(17)7-8-16(15)20-10-4-9-18-20/h4,7-13,19H,5-6H2,1-3H3.
What are the key properties of 5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline?
5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline has a molecular weight of 291.83 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline is sourced from PubChem (CID 63449572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).